10-[(2-chloro-4-fluorophenyl)methyl]-11-oxo-N-[(oxolan-2-yl)methyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-chloro-4-fluorophenyl)methyl]-11-oxo-N-[(oxolan-2-yl)methyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-chloro-4-fluorophenyl)methyl]-11-oxo-N-[(oxolan-2-yl)methyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-7133 |
| Compound Name: | 10-[(2-chloro-4-fluorophenyl)methyl]-11-oxo-N-[(oxolan-2-yl)methyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 496.99 |
| Molecular Formula: | C26 H22 Cl F N2 O3 S |
| Smiles: | C1CC(CNC(c2ccc3c(c2)N(Cc2ccc(cc2[Cl])F)C(c2ccccc2S3)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1197 |
| logD: | 5.1197 |
| logSw: | -5.4286 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.468 |
| InChI Key: | YXLQKGZZKCAQSD-LJQANCHMSA-N |