[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl](3,5-dimethoxyphenyl)methanone
Chemical Structure Depiction of
[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl](3,5-dimethoxyphenyl)methanone
[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl](3,5-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | S029-2116 |
| Compound Name: | [2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl](3,5-dimethoxyphenyl)methanone |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C25 H32 N4 O3 |
| Smiles: | CC(C)(C)NC1C2(CCN(C2)C(c2cc(cc(c2)OC)OC)=O)NCc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3426 |
| logD: | 3.3408 |
| logSw: | -3.6329 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.553 |
| InChI Key: | KJQBBGDCPJIVKK-VWLOTQADSA-N |