N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-N-(3-oxo-3-{[(pyridin-4-yl)methyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-N-(3-oxo-3-{[(pyridin-4-yl)methyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-N-(3-oxo-3-{[(pyridin-4-yl)methyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V018-4233 |
| Compound Name: | N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-N-(3-oxo-3-{[(pyridin-4-yl)methyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 488.59 |
| Molecular Formula: | C27 H32 N6 O3 |
| Salt: | not_available |
| Smiles: | CCN(CCC(NCc1ccncc1)=O)C(c1cc2C(N(CCCn2n1)Cc1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5808 |
| logD: | 1.5774 |
| logSw: | -1.9242 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.196 |
| InChI Key: | KGPBXYXQBRLOIQ-UHFFFAOYSA-N |