N-{2-[9-(3-bromo-4-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethyl}acetamide
Chemical Structure Depiction of
N-{2-[9-(3-bromo-4-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethyl}acetamide
N-{2-[9-(3-bromo-4-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethyl}acetamide
Compound characteristics
| Compound ID: | SA63-1077 |
| Compound Name: | N-{2-[9-(3-bromo-4-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethyl}acetamide |
| Molecular Weight: | 437.38 |
| Molecular Formula: | C21 H29 Br N2 O3 |
| Smiles: | CC(NCCC1CCOC2(CCN(CC2)C(c2ccc(C)c(c2)[Br])=O)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5206 |
| logD: | 2.5206 |
| logSw: | -2.7328 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.914 |
| InChI Key: | IJKXRMIHQJODAL-QGZVFWFLSA-N |