10-[(2,5-dimethylphenyl)methyl]-N-(3-methylbutyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-N-(3-methylbutyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-(3-methylbutyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-6677 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-(3-methylbutyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C28 H30 N2 O2 S |
| Smiles: | CC(C)CCNC(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9167 |
| logD: | 6.9167 |
| logSw: | -5.5448 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.927 |
| InChI Key: | JNNKQACHQWRNIA-UHFFFAOYSA-N |