(3-chloro-4-fluorophenyl){2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}methanone
Chemical Structure Depiction of
(3-chloro-4-fluorophenyl){2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}methanone
(3-chloro-4-fluorophenyl){2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}methanone
Compound characteristics
| Compound ID: | S029-0064 |
| Compound Name: | (3-chloro-4-fluorophenyl){2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}methanone |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C22 H24 Cl F N4 O2 |
| Smiles: | COCCNC1C2(CCN(C2)C(c2ccc(c(c2)[Cl])F)=O)NCc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3406 |
| logD: | 2.3363 |
| logSw: | -3.5572 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.825 |
| InChI Key: | XDWGEDWUYYYWGX-QFIPXVFZSA-N |