5-[(3-fluorophenyl)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-fluorophenyl)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-fluorophenyl)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: | G542-2297 |
| Compound Name: | 5-[(3-fluorophenyl)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: | 438.52 |
| Molecular Formula: | C23 H23 F N4 O2 S |
| Smiles: | CSc1ccc(CNC(c2cc3C(N(CCCn3n2)Cc2cccc(c2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3342 |
| logD: | 3.3342 |
| logSw: | -3.6574 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.795 |
| InChI Key: | JXMZDLSUXNWYPM-UHFFFAOYSA-N |