N-cyclooctyl-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-cyclooctyl-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-cyclooctyl-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-6666 |
| Compound Name: | N-cyclooctyl-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 498.69 |
| Molecular Formula: | C31 H34 N2 O2 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3Sc3ccc(cc23)C(NC2CCCCCCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 8.2148 |
| logD: | 8.2148 |
| logSw: | -5.5207 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.87 |
| InChI Key: | WKRLJHAGEIZBRO-UHFFFAOYSA-N |