ethyl 1-(N-{5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}alanyl)piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(N-{5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}alanyl)piperidine-3-carboxylate
ethyl 1-(N-{5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}alanyl)piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V022-6716 |
| Compound Name: | ethyl 1-(N-{5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}alanyl)piperidine-3-carboxylate |
| Molecular Weight: | 509.61 |
| Molecular Formula: | C27 H35 N5 O5 |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(C(C)NC(c1cc2C(N(CCCn2n1)Cc1ccc(C)cc1)=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7845 |
| logD: | 1.7845 |
| logSw: | -2.4992 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.565 |
| InChI Key: | AJTANMPGJWNVQJ-UHFFFAOYSA-N |