5-[(4-methylphenyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-[(4-methylphenyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-[(4-methylphenyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-0632 |
| Compound Name: | 5-[(4-methylphenyl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C25 H28 N4 O2 S |
| Smiles: | Cc1ccc(CN2CCCn3c(cc(C(NCCc4ccc(cc4)SC)=O)n3)C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.569 |
| logD: | 3.569 |
| logSw: | -3.7978 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.637 |
| InChI Key: | VMYNNNBDUHWHDR-UHFFFAOYSA-N |