N-(3,5-dimethylphenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
N-(3,5-dimethylphenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
Compound characteristics
Compound ID: | C243-0255 |
Compound Name: | N-(3,5-dimethylphenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide |
Molecular Weight: | 363.44 |
Molecular Formula: | C20 H17 N3 O2 S |
Smiles: | CC1=CC=CN2C1=Nc1c(cc(C(Nc3cc(C)cc(C)c3)=O)s1)C2=O |
Stereo: | ACHIRAL |
logP: | 4.0415 |
logD: | 4.0414 |
logSw: | -4.0964 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.499 |
InChI Key: | YHKQOTRYRKEUSL-UHFFFAOYSA-N |