5-[(4-methylphenyl)methyl]-N-(3-{[2-(morpholin-4-yl)ethyl]amino}-3-oxopropyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-[(4-methylphenyl)methyl]-N-(3-{[2-(morpholin-4-yl)ethyl]amino}-3-oxopropyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-[(4-methylphenyl)methyl]-N-(3-{[2-(morpholin-4-yl)ethyl]amino}-3-oxopropyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V022-5947 |
| Compound Name: | 5-[(4-methylphenyl)methyl]-N-(3-{[2-(morpholin-4-yl)ethyl]amino}-3-oxopropyl)-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C25 H34 N6 O4 |
| Smiles: | Cc1ccc(CN2CCCn3c(cc(C(NCCC(NCCN4CCOCC4)=O)=O)n3)C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | -0.0776 |
| logD: | -0.1534 |
| logSw: | -2.0059 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.84 |
| InChI Key: | PVIFFIWHJLPLJC-UHFFFAOYSA-N |