ethyl 1-[N-(5-benzyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-N-(butan-2-yl)-beta-alanyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[N-(5-benzyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-N-(butan-2-yl)-beta-alanyl]piperidine-4-carboxylate
ethyl 1-[N-(5-benzyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-N-(butan-2-yl)-beta-alanyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V008-1153 |
| Compound Name: | ethyl 1-[N-(5-benzyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-N-(butan-2-yl)-beta-alanyl]piperidine-4-carboxylate |
| Molecular Weight: | 551.69 |
| Molecular Formula: | C30 H41 N5 O5 |
| Salt: | not_available |
| Smiles: | CCC(C)N(CCC(N1CCC(CC1)C(=O)OCC)=O)C(c1cc2C(N(CCCn2n1)Cc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7213 |
| logD: | 2.7213 |
| logSw: | -2.9349 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.046 |
| InChI Key: | NDSUQHIYXGUIGD-QFIPXVFZSA-N |