1-[2-(cyclopentylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Chemical Structure Depiction of
1-[2-(cyclopentylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
1-[2-(cyclopentylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | S029-0924 |
| Compound Name: | 1-[2-(cyclopentylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C24 H31 N5 O2 |
| Smiles: | Cc1c(CC(N2CCC3(C2)C(NC2CCCC2)=Nc2ccccc2CN3)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7061 |
| logD: | 2.3684 |
| logSw: | -3.0185 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.972 |
| InChI Key: | HAFZQSIDDOSWAC-DEOSSOPVSA-N |