1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(morpholin-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-(morpholin-4-yl)ethan-1-one
1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | S029-2143 |
| Compound Name: | 1-[2-(tert-butylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 399.54 |
| Molecular Formula: | C22 H33 N5 O2 |
| Smiles: | CC(C)(C)NC1C2(CCN(C2)C(CN2CCOCC2)=O)NCc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1573 |
| logD: | 1.1431 |
| logSw: | -2.1539 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.85 |
| InChI Key: | XRYKJALPGSBLBN-QFIPXVFZSA-N |