10-[(2,5-dimethylphenyl)methyl]-N-(3-ethoxypropyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-N-(3-ethoxypropyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-(3-ethoxypropyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1398 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-(3-ethoxypropyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C28 H30 N2 O3 S |
| Smiles: | CCOCCCNC(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8863 |
| logD: | 5.8863 |
| logSw: | -5.3348 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.904 |
| InChI Key: | NUABKAXTPIDDKT-UHFFFAOYSA-N |