N-[3-(benzylamino)-3-oxopropyl]-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-[3-(benzylamino)-3-oxopropyl]-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-[3-(benzylamino)-3-oxopropyl]-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V017-1011 |
| Compound Name: | N-[3-(benzylamino)-3-oxopropyl]-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C25 H26 F N5 O3 |
| Salt: | not_available |
| Smiles: | C1CN(Cc2ccc(cc2)F)C(c2cc(C(NCCC(NCc3ccccc3)=O)=O)nn2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6145 |
| logD: | 1.6145 |
| logSw: | -2.2239 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.108 |
| InChI Key: | MIZQLTDMAVSHID-UHFFFAOYSA-N |