10-[(2,5-dimethylphenyl)methyl]-N-(3-methoxypropyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-N-(3-methoxypropyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-(3-methoxypropyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-0761 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-(3-methoxypropyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C27 H28 N2 O3 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3Sc3ccc(cc23)C(NCCCOC)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5826 |
| logD: | 5.5826 |
| logSw: | -5.2698 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.269 |
| InChI Key: | LIGPHJSXAILCLS-UHFFFAOYSA-N |