5-[(4-fluorophenyl)methyl]-4-oxo-N-(3-oxo-3-{[2-(pyrrolidin-1-yl)ethyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-[(4-fluorophenyl)methyl]-4-oxo-N-(3-oxo-3-{[2-(pyrrolidin-1-yl)ethyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-[(4-fluorophenyl)methyl]-4-oxo-N-(3-oxo-3-{[2-(pyrrolidin-1-yl)ethyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V016-4019 |
| Compound Name: | 5-[(4-fluorophenyl)methyl]-4-oxo-N-(3-oxo-3-{[2-(pyrrolidin-1-yl)ethyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C24 H31 F N6 O3 |
| Salt: | not_available |
| Smiles: | C1CCN(C1)CCNC(CCNC(c1cc2C(N(CCCn2n1)Cc1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2707 |
| logD: | -1.8849 |
| logSw: | -2.0149 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.298 |
| InChI Key: | SDWQRTNUPJVYME-UHFFFAOYSA-N |