1-[2-(benzylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[2-(benzylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one
1-[2-(benzylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S029-0427 |
| Compound Name: | 1-[2-(benzylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one |
| Molecular Weight: | 428.54 |
| Molecular Formula: | C25 H28 N6 O |
| Smiles: | Cc1nccn1CC(N1CCC2(C1)C(NCc1ccccc1)=Nc1ccccc1CN2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3468 |
| logD: | 0.3217 |
| logSw: | -2.1103 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.4 |
| InChI Key: | DFTYMPXUFXMYLE-VWLOTQADSA-N |