N-{2-[benzyl(methyl)amino]ethyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[benzyl(methyl)amino]ethyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-0671 |
| Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-11-ethyl-2-methyldibenzo[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(NCCN(C)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2763 |
| logD: | 5.07 |
| logSw: | -5.079 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.58 |
| InChI Key: | VTZSRCILPBXDKM-UHFFFAOYSA-N |