5-[(3-methylphenyl)methyl]-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-[(3-methylphenyl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-[(3-methylphenyl)methyl]-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: | G542-2601 |
| Compound Name: | 5-[(3-methylphenyl)methyl]-N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C24 H26 N4 O2 S |
| Smiles: | Cc1cccc(CN2CCCn3c(cc(C(NCc4ccc(cc4)SC)=O)n3)C2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8587 |
| logD: | 3.8586 |
| logSw: | -3.8853 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.795 |
| InChI Key: | WBQSUXLDJNATRW-UHFFFAOYSA-N |