ethyl 1-(N-{5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}-beta-alanyl)piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(N-{5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}-beta-alanyl)piperidine-3-carboxylate
ethyl 1-(N-{5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}-beta-alanyl)piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V022-7137 |
| Compound Name: | ethyl 1-(N-{5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}-beta-alanyl)piperidine-3-carboxylate |
| Molecular Weight: | 513.57 |
| Molecular Formula: | C26 H32 F N5 O5 |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(CCNC(c1cc2C(N(CCCn2n1)Cc1ccc(cc1)F)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0731 |
| logD: | 1.0731 |
| logSw: | -2.2805 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.716 |
| InChI Key: | FKECQOWZIAZGBH-IBGZPJMESA-N |