[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl](4-chloro-1-ethyl-1H-pyrazol-3-yl)methanone
Chemical Structure Depiction of
[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl](4-chloro-1-ethyl-1H-pyrazol-3-yl)methanone
[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl](4-chloro-1-ethyl-1H-pyrazol-3-yl)methanone
Compound characteristics
| Compound ID: | S029-2173 |
| Compound Name: | [2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl](4-chloro-1-ethyl-1H-pyrazol-3-yl)methanone |
| Molecular Weight: | 428.96 |
| Molecular Formula: | C22 H29 Cl N6 O |
| Smiles: | CCn1cc(c(C(N2CCC3(C2)C(NC(C)(C)C)=Nc2ccccc2CN3)=O)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6663 |
| logD: | 2.6624 |
| logSw: | -3.4532 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.513 |
| InChI Key: | VZGYNMSOAVWZNJ-QFIPXVFZSA-N |