N-[2-(4-ethoxyphenyl)ethyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(4-ethoxyphenyl)ethyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(4-ethoxyphenyl)ethyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-3752 |
| Compound Name: | N-[2-(4-ethoxyphenyl)ethyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C27 H28 N2 O2 S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCc1ccc(cc1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8741 |
| logD: | 5.8737 |
| logSw: | -5.3936 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.609 |
| InChI Key: | RBTNGESBWSTIHZ-UHFFFAOYSA-N |