1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-phenoxyethan-1-one
1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | S029-2125 |
| Compound Name: | 1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 406.53 |
| Molecular Formula: | C24 H30 N4 O2 |
| Smiles: | CC(C)(C)NC1C2(CCN(C2)C(COc2ccccc2)=O)NCc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9269 |
| logD: | 2.9142 |
| logSw: | -3.2334 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.437 |
| InChI Key: | HNDGNPPUBNFEPW-DEOSSOPVSA-N |