7-benzyl-4-ethyl-N-[3-(methylsulfanyl)phenyl]-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide
Chemical Structure Depiction of
7-benzyl-4-ethyl-N-[3-(methylsulfanyl)phenyl]-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide
7-benzyl-4-ethyl-N-[3-(methylsulfanyl)phenyl]-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | F148-0050 |
| Compound Name: | 7-benzyl-4-ethyl-N-[3-(methylsulfanyl)phenyl]-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide |
| Molecular Weight: | 473.6 |
| Molecular Formula: | C26 H27 N5 O2 S |
| Smiles: | CCN1C2CCN(CC=2C(n2c1c(cn2)C(Nc1cccc(c1)SC)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1476 |
| logD: | 4.1404 |
| logSw: | -4.0006 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.234 |
| InChI Key: | MMOUBRNYTVSLHM-UHFFFAOYSA-N |