5-benzyl-N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-benzyl-N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-benzyl-N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-0275 |
| Compound Name: | 5-benzyl-N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C23 H24 N4 O2 S |
| Smiles: | CSc1ccc(CNC(c2cc3C(N(CCCn3n2)Cc2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2121 |
| logD: | 3.212 |
| logSw: | -3.4541 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.795 |
| InChI Key: | XYISVKKLBWUVCS-UHFFFAOYSA-N |