5-[(4-methylphenyl)methyl]-4-oxo-N-{3-oxo-3-[(propan-2-yl)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-[(propan-2-yl)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-[(propan-2-yl)amino]propyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V022-3243 |
| Compound Name: | 5-[(4-methylphenyl)methyl]-4-oxo-N-{3-oxo-3-[(propan-2-yl)amino]propyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C22 H29 N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)NC(CCNC(c1cc2C(N(CCCn2n1)Cc1ccc(C)cc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2168 |
| logD: | 1.2168 |
| logSw: | -2.3144 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.354 |
| InChI Key: | SQBMYGQAWLUMBY-UHFFFAOYSA-N |