N-{3-[ethyl(phenyl)amino]propyl}-10-[(4-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[ethyl(phenyl)amino]propyl}-10-[(4-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[ethyl(phenyl)amino]propyl}-10-[(4-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K784-7509 |
| Compound Name: | N-{3-[ethyl(phenyl)amino]propyl}-10-[(4-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 535.71 |
| Molecular Formula: | C33 H33 N3 O2 S |
| Smiles: | CCN(CCCNC(c1ccc2c(c1)N(Cc1ccc(C)cc1)C(c1ccccc1S2)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.9739 |
| logD: | 6.9482 |
| logSw: | -5.5549 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.645 |
| InChI Key: | YWQNYDUSNVSVRY-UHFFFAOYSA-N |