1-{2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}-2-(2-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-{2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}-2-(2-methylphenoxy)ethan-1-one
1-{2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}-2-(2-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S029-0183 |
| Compound Name: | 1-{2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}-2-(2-methylphenoxy)ethan-1-one |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C24 H30 N4 O3 |
| Smiles: | Cc1ccccc1OCC(N1CCC2(C1)C(NCCOC)=Nc1ccccc1CN2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.172 |
| logD: | 2.1423 |
| logSw: | -2.4974 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.883 |
| InChI Key: | YUILVHPXTPKEQK-DEOSSOPVSA-N |