5-[(4-fluorophenyl)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-fluorophenyl)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-fluorophenyl)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: | V013-0736 |
| Compound Name: | 5-[(4-fluorophenyl)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: | 486.55 |
| Molecular Formula: | C24 H31 F N6 O4 |
| Salt: | not_available |
| Smiles: | C1CN(Cc2ccc(cc2)F)C(c2cc(C(NCCC(NCCN3CCOCC3)=O)=O)nn2C1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.472 |
| logD: | -0.5478 |
| logSw: | -1.9211 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.84 |
| InChI Key: | ZBFHBVZHFKWKKZ-UHFFFAOYSA-N |