[2-(benzylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl](3-methyl-1H-pyrazol-5-yl)methanone
Chemical Structure Depiction of
[2-(benzylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl](3-methyl-1H-pyrazol-5-yl)methanone
[2-(benzylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl](3-methyl-1H-pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | S029-0409 |
| Compound Name: | [2-(benzylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl](3-methyl-1H-pyrazol-5-yl)methanone |
| Molecular Weight: | 414.51 |
| Molecular Formula: | C24 H26 N6 O |
| Smiles: | Cc1cc(C(N2CCC3(C2)C(NCc2ccccc2)=Nc2ccccc2CN3)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2795 |
| logD: | 2.2756 |
| logSw: | -2.7866 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.937 |
| InChI Key: | AFIYAKCAJSOLCS-DEOSSOPVSA-N |