ethyl 1-(N-methyl-N-{5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}glycyl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(N-methyl-N-{5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}glycyl)piperidine-4-carboxylate
ethyl 1-(N-methyl-N-{5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}glycyl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V022-5928 |
| Compound Name: | ethyl 1-(N-methyl-N-{5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}glycyl)piperidine-4-carboxylate |
| Molecular Weight: | 509.61 |
| Molecular Formula: | C27 H35 N5 O5 |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(CN(C)C(c1cc2C(N(CCCn2n1)Cc1cccc(C)c1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6586 |
| logD: | 1.6586 |
| logSw: | -1.9052 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.678 |
| InChI Key: | CFPGJHYNUCPFED-UHFFFAOYSA-N |