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869357-68-6

Basic Information
CAS No.: 869357-68-6
Name: AZD-8330
Molecular Structure:
Molecular Structure of 869357-68-6 (AZD-8330)
Formula: C16H17FIN3O4
Molecular Weight: 461.23
Synonyms: AZD8330;AZD-8330;2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide;
EINECS: 642-441-7
Density: 1.732 g/cm3
Melting Point:
Boiling Point:
Flash Point:
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 96.08000
LogP: 2.48250
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Specification

The AZD-8330, with the CAS registry number 869357-68-6, is also known as AZD8330. This chemical's molecular formula is C16H17FIN3O4 and molecular weight is 461.23. What's more, its systematic name is 2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide.

Physical properties of AZD-8330 are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.38; (6)ACD/BCF (pH 7.4): 21.38; (7)ACD/KOC (pH 5.5): 311.63; (8)ACD/KOC (pH 7.4): 311.63; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 62.32 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 98.2 cm3; (15)Molar Volume: 266.2 cm3; (16)Polarizability: 38.93×10-24 cm3; (17)Surface Tension: 63.2 dyne/cm; (18)Density: 1.732 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C2/C(=C\C(=C(\Nc1ccc(I)cc1F)N2C)C(=O)NOCCO)C
(2)InChI: InChI=1/C16H17FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,23)
(3)InChIKey: RWEVIPRMPFNTLO-UHFFFAOYAU