10-[(2-chloro-4-fluorophenyl)methyl]-N-cyclooctyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-chloro-4-fluorophenyl)methyl]-N-cyclooctyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-chloro-4-fluorophenyl)methyl]-N-cyclooctyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-7126 |
| Compound Name: | 10-[(2-chloro-4-fluorophenyl)methyl]-N-cyclooctyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 523.07 |
| Molecular Formula: | C29 H28 Cl F N2 O2 S |
| Smiles: | C1CCCC(CCC1)NC(c1ccc2c(c1)N(Cc1ccc(cc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8936 |
| logD: | 7.8936 |
| logSw: | -6.5494 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.87 |
| InChI Key: | IKBPMNHQJHQYHA-UHFFFAOYSA-N |