{2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}[3-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
{2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}[3-(trifluoromethyl)phenyl]methanone
{2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}[3-(trifluoromethyl)phenyl]methanone
Compound characteristics
| Compound ID: | S029-0062 |
| Compound Name: | {2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}[3-(trifluoromethyl)phenyl]methanone |
| Molecular Weight: | 446.47 |
| Molecular Formula: | C23 H25 F3 N4 O2 |
| Smiles: | COCCNC1C2(CCN(C2)C(c2cccc(c2)C(F)(F)F)=O)NCc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6041 |
| logD: | 2.5998 |
| logSw: | -3.1648 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.825 |
| InChI Key: | DWIFOPPYUVZPBL-QFIPXVFZSA-N |