1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Chemical Structure Depiction of
1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | S029-2169 |
| Compound Name: | 1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C23 H31 N5 O2 |
| Smiles: | Cc1c(CC(N2CCC3(C2)C(NC(C)(C)C)=Nc2ccccc2CN3)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5625 |
| logD: | 2.5487 |
| logSw: | -2.8847 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.976 |
| InChI Key: | ZTSBYVIEIVMVMG-QHCPKHFHSA-N |