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Fidexaban

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Name

Fidexaban

EINECS N/A
CAS No. 183305-24-0 Density 1.51 g/cm3
PSA 156.60000 LogP 2.66960
Solubility N/A Melting Point N/A
Formula C25H24F2N6O5 Boiling Point 635.4 °C at 760 mmHg
Molecular Weight 526.4921 Flash Point 338.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 183305-24-0 (N-[2-[5-(Aminoiminomethyl)-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]-3,5-difluoro-4-pyridinyl]-N-methylglycine) Hazard Symbols N/A
Synonyms

Fidexaban [USAN];

Article Data 2

Fidexaban Specification

The Fidexaban, with the CAS registry number 183305-24-0, is also known as Fidexaban [USAN]. This chemical's molecular formula is C25H24F2N6O5 and molecular weight is 526.4921. What's more, its IUPAC name is 2-[[2-[3-(Diaminomethylidene)-6-oxocyclohexa-1, 4-dien-1-yl]oxy-3, 5-difluoro-6-[3-(1-methyl-4, 5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]-methylamino]acetic acid. This chemical's classification code is Anticoagulant (Factor Xa Inhibitor).

Physical properties about Fidexaban are: (1)ACD/LogP: -1.00; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -3.51; (4)ACD/LogD (pH 7.4): -3.5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 100.04 Å2; (13)Index of Refraction: 1.664; (14)Molar Refractivity: 129.4 cm3; (15)Molar Volume: 348.5 cm3; (16)Polarizability: 51.3×10-24 cm3; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.51 g/cm3; (19)Flash Point: 338.1 °C; (20)Enthalpy of Vaporization: 98.68 kJ/mol; (21)Boiling Point: 635.4 °C at 760 mmHg; (22)Vapour Pressure: 5.15E-17 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C4/C=CC(=C(/N)N)/C=C4/Oc3nc(Oc2cc(/C1=N/CCN1C)ccc2)c(F)c(c3F)CNCC(=O)O
(2) InChI: InChI=1/C25H24F2N6O5/c1-33-8-7-31-23(33)14-3-2-4-15(9-14)37-24-20(26)16(11-30-12-19(35)36)21(27)25(32-24)38-18-10-13(22(28)29)5-6-17(18)34/h2-6,9-10,30H,7-8,11-12,28-29H2,1H3,(H,35,36)
(3) InChIKey: DTDFURFLSOTCOD-UHFFFAOYAC

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