5-[(4-methylphenyl)methyl]-4-oxo-N-(3-oxo-3-{[2-(piperidin-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-methylphenyl)methyl]-4-oxo-N-(3-oxo-3-{[2-(piperidin-1-yl)ethyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-[(4-methylphenyl)methyl]-4-oxo-N-(3-oxo-3-{[2-(piperidin-1-yl)ethyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V020-2067 |
| Compound Name: | 5-[(4-methylphenyl)methyl]-4-oxo-N-(3-oxo-3-{[2-(piperidin-1-yl)ethyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 480.61 |
| Molecular Formula: | C26 H36 N6 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(CN2CCCn3c(cc(C(NCCC(NCCN4CCCCC4)=O)=O)n3)C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.0293 |
| logD: | -0.6946 |
| logSw: | -2.2891 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.932 |
| InChI Key: | KLMDFNNPTAVQID-UHFFFAOYSA-N |