N-(4-cyanophenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
N-(4-cyanophenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | C243-0431 |
| Compound Name: | N-(4-cyanophenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C19 H12 N4 O2 S |
| Smiles: | CC1=CC=CN2C1=Nc1c(cc(C(Nc3ccc(C#N)cc3)=O)s1)C2=O |
| Stereo: | ACHIRAL |
| logP: | 3.003 |
| logD: | 2.9618 |
| logSw: | -3.5789 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.555 |
| InChI Key: | OBVYVCPWXLJZEW-UHFFFAOYSA-N |