{2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}(3-phenyl-1H-pyrazol-5-yl)methanone
Chemical Structure Depiction of
{2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}(3-phenyl-1H-pyrazol-5-yl)methanone
{2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}(3-phenyl-1H-pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | S029-0150 |
| Compound Name: | {2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}(3-phenyl-1H-pyrazol-5-yl)methanone |
| Molecular Weight: | 444.54 |
| Molecular Formula: | C25 H28 N6 O2 |
| Smiles: | COCCNC1C2(CCN(C2)C(c2cc(c3ccccc3)n[nH]2)=O)NCc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7541 |
| logD: | 2.7439 |
| logSw: | -3.3654 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.315 |
| InChI Key: | RLWXZRVHXHZLKL-VWLOTQADSA-N |