N-methyl-5-[(3-methylphenyl)methyl]-4-oxo-N-(2-oxo-2-{[2-(piperidin-1-yl)ethyl]amino}ethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-methyl-5-[(3-methylphenyl)methyl]-4-oxo-N-(2-oxo-2-{[2-(piperidin-1-yl)ethyl]amino}ethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-methyl-5-[(3-methylphenyl)methyl]-4-oxo-N-(2-oxo-2-{[2-(piperidin-1-yl)ethyl]amino}ethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V012-9742 |
| Compound Name: | N-methyl-5-[(3-methylphenyl)methyl]-4-oxo-N-(2-oxo-2-{[2-(piperidin-1-yl)ethyl]amino}ethyl)-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: | Cc1cccc(CN2CCCn3c(cc(C(N(C)CC(NCCN4CCCCC4)=O)=O)n3)C2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.3946 |
| logD: | -0.1158 |
| logSw: | -2.0603 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.828 |
| InChI Key: | VGWYSDGLPGKLCT-UHFFFAOYSA-N |