1-[2-(cyclopentylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[2-(cyclopentylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
1-[2-(cyclopentylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S029-0913 |
| Compound Name: | 1-[2-(cyclopentylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 434.58 |
| Molecular Formula: | C25 H34 N6 O |
| Smiles: | Cc1cc(C)n(CCC(N2CCC3(C2)C(NC2CCCC2)=Nc2ccccc2CN3)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9132 |
| logD: | 1.612 |
| logSw: | -2.5138 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.919 |
| InChI Key: | VDQHTEFZBYNRSA-VWLOTQADSA-N |