10-[(2,5-dimethylphenyl)methyl]-N-{3-[methyl(phenyl)amino]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-N-{3-[methyl(phenyl)amino]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-{3-[methyl(phenyl)amino]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1199 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-{3-[methyl(phenyl)amino]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 535.71 |
| Molecular Formula: | C33 H33 N3 O2 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3Sc3ccc(cc23)C(NCCCN(C)c2ccccc2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.7388 |
| logD: | 6.7338 |
| logSw: | -5.4928 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.86 |
| InChI Key: | LIHZAAHIBCEUGF-UHFFFAOYSA-N |