N-[4-(methylsulfanyl)phenyl]-9-oxo-2-phenyl-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-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide
N-[4-(methylsulfanyl)phenyl]-9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide
Compound characteristics
| Compound ID: | S021-1148 |
| Compound Name: | N-[4-(methylsulfanyl)phenyl]-9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide |
| Molecular Weight: | 431.52 |
| Molecular Formula: | C23 H21 N5 O2 S |
| Smiles: | CSc1ccc(cc1)NC(N1CCC2=C(C1)N=C1C=C(c3ccccc3)NN1C2=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2782 |
| logD: | 3.2781 |
| logSw: | -3.5605 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.615 |
| InChI Key: | ORUUMDJSSCVCSR-UHFFFAOYSA-N |