2-bromo-11-ethyl-N-[(oxolan-2-yl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-bromo-11-ethyl-N-[(oxolan-2-yl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
2-bromo-11-ethyl-N-[(oxolan-2-yl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-2167 |
| Compound Name: | 2-bromo-11-ethyl-N-[(oxolan-2-yl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 445.38 |
| Molecular Formula: | C21 H21 Br N2 O2 S |
| Smiles: | CCC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCC1CCCO1)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5931 |
| logD: | 4.593 |
| logSw: | -4.3875 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.298 |
| InChI Key: | FWDGNGNJNVPPMH-OAHLLOKOSA-N |