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250214-44-9

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Basic Information
CAS No.: 250214-44-9
Name: FESOTERODINE
Article Data: 30
Molecular Structure:
Molecular Structure of 250214-44-9 (FESOTERODINE)
Formula: C26H37NO3
Molecular Weight: 411.585
Synonyms: Fesoterodine;2-Methylpropanoic acid 2-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl ester;
Density: 1.043 g/cm3
Boiling Point: 518.9 °C at 760 mmHg
Flash Point: 267.6 °C
PSA: 49.77000
LogP: 5.38110
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Specification

This chemical is called Fesoterodine, and its systematic name is 2-{3-[bis(1-methylethyl)amino]-1-phenylpropyl}-4-(hydroxymethyl)phenyl 2-methylpropanoate. With the molecular formula of C26H37NO3, its molecular weight is 411.58. The CAS registry number of this chemical is 250214-44-9.

Other characteristics of the Fesoterodine can be summarised as followings: (1)ACD/LogP: 5.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 3.4; (6)ACD/BCF (pH 7.4): 6.11; (7)ACD/KOC (pH 5.5): 11.03; (8)ACD/KOC (pH 7.4): 19.82; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 49.77 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 123.28 cm3; (15)Molar Volume: 394.4 cm3; (16)Polarizability: 48.87×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.043 g/cm3; (19)Flash Point: 267.6 °C; (20)Enthalpy of Vaporization: 83.33 kJ/mol; (21)Boiling Point: 518.9 °C at 760 mmHg; (22)Vapour Pressure: 1.36E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(Oc2ccc(cc2C(CCN(C(C)C)C(C)C)c1ccccc1)CO)C(C)C
2.InChI: InChI=1/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3
3.InChIKey: DCCSDBARQIPTGU-UHFFFAOYAZ