N-{[4-(dimethylamino)phenyl]methyl}-5-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-{[4-(dimethylamino)phenyl]methyl}-5-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-{[4-(dimethylamino)phenyl]methyl}-5-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-2302 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-5-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C24 H26 F N5 O2 |
| Smiles: | CN(C)c1ccc(CNC(c2cc3C(N(CCCn3n2)Cc2cccc(c2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.705 |
| logD: | 2.6895 |
| logSw: | -3.001 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.6 |
| InChI Key: | PBDCPYFMHZSBKR-UHFFFAOYSA-N |