8,8-dimethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
Chemical Structure Depiction of
8,8-dimethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
8,8-dimethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | J035-0451 |
| Compound Name: | 8,8-dimethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | CC1(C)CC2=C(C=Nc3c(cnn23)C(NCc2ccc(cc2)SC)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5471 |
| logD: | 3.5468 |
| logSw: | -3.7013 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.062 |
| InChI Key: | LDBSDEMHSRZOCY-UHFFFAOYSA-N |