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 |