N-[4-(methylsulfanyl)phenyl]-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide
Chemical Structure Depiction of
N-[4-(methylsulfanyl)phenyl]-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide
N-[4-(methylsulfanyl)phenyl]-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide
Compound characteristics
| Compound ID: | S021-0317 |
| Compound Name: | N-[4-(methylsulfanyl)phenyl]-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide |
| Molecular Weight: | 355.42 |
| Molecular Formula: | C17 H17 N5 O2 S |
| Smiles: | [H]C1=CC2=NC3CN(CCC=3C(N2N1)=O)C(Nc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0873 |
| logD: | 1.087 |
| logSw: | -2.3406 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.837 |
| InChI Key: | KBGCSDBBLVRYNG-UHFFFAOYSA-N |