11-ethyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
11-ethyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
11-ethyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-0666 |
| Compound Name: | 11-ethyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 471.66 |
| Molecular Formula: | C29 H33 N3 O S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCCN(CC)c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7204 |
| logD: | 6.692 |
| logSw: | -5.513 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.475 |
| InChI Key: | FSFLLSWUORKGJJ-UHFFFAOYSA-N |