5-[(4-fluorophenyl)methyl]-N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-[(4-fluorophenyl)methyl]-N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-[(4-fluorophenyl)methyl]-N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-0962 |
| Compound Name: | 5-[(4-fluorophenyl)methyl]-N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C22 H23 F N4 O3 S |
| Smiles: | C1CN(Cc2ccc(cc2)F)C(c2cc(C(NCCSCc3ccco3)=O)nn2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5865 |
| logD: | 2.5865 |
| logSw: | -2.9474 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.385 |
| InChI Key: | RBJVJYBNXQNRCV-UHFFFAOYSA-N |