11-ethyl-2-methyl-N-{3-[methyl(phenyl)amino]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
11-ethyl-2-methyl-N-{3-[methyl(phenyl)amino]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
11-ethyl-2-methyl-N-{3-[methyl(phenyl)amino]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-0681 |
| Compound Name: | 11-ethyl-2-methyl-N-{3-[methyl(phenyl)amino]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C27 H29 N3 O S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCCN(C)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4201 |
| logD: | 5.4152 |
| logSw: | -5.2177 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.69 |
| InChI Key: | PPNWQAQBYKNVOI-UHFFFAOYSA-N |