1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(2-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(2-fluorophenyl)ethan-1-one
1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(2-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | S029-2080 |
| Compound Name: | 1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(2-fluorophenyl)ethan-1-one |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C24 H29 F N4 O |
| Smiles: | CC(C)(C)NC1C2(CCN(C2)C(Cc2ccccc2F)=O)NCc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6873 |
| logD: | 3.6735 |
| logSw: | -3.8613 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.938 |
| InChI Key: | JDMXTPKSXJSJLW-DEOSSOPVSA-N |