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118290-27-0

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Basic Information
CAS No.: 118290-27-0
Name: AF-DX 384
Molecular Structure:
Molecular Structure of 118290-27-0 (AF-DX 384)
Formula: C28H42N6O5S
Molecular Weight: 574.7353
Synonyms: AF-DX 384;
Density: 1.144g/cm3
Melting Point: 164-165oC
Boiling Point: 618.4 °C at 760 mmHg
Flash Point: 327.8 °C
Appearance: Pale yellow solid
PSA: 149.01000
LogP: 4.88780
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Specification

The Afdx 384, with the CAS registry number of 118290-27-0, is also known as AF-DX 384. This chemical's molecular formula is C28H42N6O5S and molecular weight is 574.7353. What's more, its IUPAC name is N-[2-[2-[(Dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2, 3-b][1, 4]benzodiazepine-11-carboxamide; methanesulfonic acid. This chemical's classification codes are Autonomic Agents; Parasympatholytics; Peripheral Nervous System Agents.

Physical properties about Afdx 384 are: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.11; (4)ACD/LogD (pH 7.4): 0.26; (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): 1.94; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 63.23 Å2; (13)Flash Point: 327.8 °C; (14)Enthalpy of Vaporization: 91.68 kJ/mol; (15)Boiling Point: 618.4 °C at 760 mmHg; (16)Vapour Pressure: 3.21E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)C.O=C2c1ccccc1N(c3ncccc3N2)C(=O)NCCN4C(CCCC4)CN(CCC)CCC
(2) InChI: InChI=1/C27H38N6O2.CH4O3S/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33;1-5(2,3)4/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34);1H3,(H,2,3,4)
(3) InChIKey: LBXOPAJGAXATCZ-UHFFFAOYAL