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Basic Information
CAS No.: 76377-80-5
Name: Ethyl 8-benzyl-5-hydroxy-7-oxo-2-phenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
Article Data: 3
Molecular Structure:
Molecular Structure of 76377-80-5 (Ethyl 8-benzyl-5-hydroxy-7-oxo-2-phenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate)
Formula: C23H19N3O4
Molecular Weight: 401.422
Synonyms: ethyl 8-benzyl-5-hydroxy-7-oxo-2-phenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate;A9690;
Density: 1.364 g/cm3
Boiling Point: 540.763 °C at 760 mmHg
Flash Point: 280.844 °C
PSA: 94.31000
LogP: 3.38910
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Specification

The Ethyl 8-benzyl-5-hydroxy-7-oxo-2-phenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate has CAS registry number 76377-80-5. This chemical's molecular formula is C23H19N3O4 and molecular weight is 401.41. What's more, its systematic name is ethyl 8-benzyl-5-hydroxy-7-oxo-2-phenyl-pyrido[2,3-d]pyrimidine-6-carboxylate.

Physical properties of Ethyl 8-benzyl-5-hydroxy-7-oxo-2-phenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate are: (1)ACD/LogP: 5.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.888; (4)ACD/LogD (pH 7.4): 3.239; (5)ACD/BCF (pH 5.5): 2486.917; (6)ACD/BCF (pH 7.4): 55.851; (7)ACD/KOC (pH 5.5): 7358.404; (8)ACD/KOC (pH 7.4): 165.255; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 92.62 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 108.835 cm3; (15)Molar Volume: 294.241 cm3; (16)Polarizability: 43.145×10-24cm3; (17)Surface Tension: 67.687 dyne/cm; (18)Density: 1.364 g/cm3; (19)Flash Point: 280.844 °C; (20)Enthalpy of Vaporization: 86.142 kJ/mol; (21)Boiling Point: 540.763 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1c(c2cnc(nc2n(c1=O)Cc3ccccc3)c4ccccc4)O
(2)Std. InChI: InChI=1S/C23H19N3O4/c1-2-30-23(29)18-19(27)17-13-24-20(16-11-7-4-8-12-16)25-21(17)26(22(18)28)14-15-9-5-3-6-10-15/h3-13,27H,2,14H2,1H3
(3)Std. InChIKey: FPSQFBLSEBYEOQ-UHFFFAOYSA-N