5-[(3-fluorophenyl)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-[(3-fluorophenyl)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-[(3-fluorophenyl)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: | G542-2309 |
| Compound Name: | 5-[(3-fluorophenyl)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: | 452.55 |
| Molecular Formula: | C24 H25 F N4 O2 S |
| Smiles: | CSc1ccc(CCNC(c2cc3C(N(CCCn3n2)Cc2cccc(c2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2678 |
| logD: | 3.2678 |
| logSw: | -3.5463 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.637 |
| InChI Key: | UXUVVYPDQWOPND-UHFFFAOYSA-N |