1-[2-(cyclopentylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(2-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[2-(cyclopentylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(2-methylphenoxy)ethan-1-one
1-[2-(cyclopentylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(2-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S029-0936 |
| Compound Name: | 1-[2-(cyclopentylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(2-methylphenoxy)ethan-1-one |
| Molecular Weight: | 432.57 |
| Molecular Formula: | C26 H32 N4 O2 |
| Smiles: | Cc1ccccc1OCC(N1CCC2(C1)C(NC1CCCC1)=Nc1ccccc1CN2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5738 |
| logD: | 3.255 |
| logSw: | -3.8013 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.519 |
| InChI Key: | VNNYTROLFSDMNL-SANMLTNESA-N |