1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(2-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(2-methylphenoxy)ethan-1-one
1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(2-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S029-2183 |
| Compound Name: | 1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(2-methylphenoxy)ethan-1-one |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C25 H32 N4 O2 |
| Smiles: | Cc1ccccc1OCC(N1CCC2(C1)C(NC(C)(C)C)=Nc1ccccc1CN2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4302 |
| logD: | 3.4174 |
| logSw: | -3.6381 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.523 |
| InChI Key: | IJTPAJSUXICMPC-VWLOTQADSA-N |