5-[(2-methylphenyl)methyl]-4-oxo-N-(3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-[(2-methylphenyl)methyl]-4-oxo-N-(3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-[(2-methylphenyl)methyl]-4-oxo-N-(3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V018-6606 |
| Compound Name: | 5-[(2-methylphenyl)methyl]-4-oxo-N-(3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C26 H30 N6 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1CN1CCCn2c(cc(C(NCCC(NCCc3ccccn3)=O)=O)n2)C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.3567 |
| logD: | 1.3518 |
| logSw: | -2.179 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.493 |
| InChI Key: | LACKRKHKYMLZIX-UHFFFAOYSA-N |