N-[2-(3,4-diethoxyphenyl)ethyl]-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(3,4-diethoxyphenyl)ethyl]-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-2642 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C28 H30 N2 O4 S |
| Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)C(NCCc1ccc(c(c1)OCC)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.484 |
| logD: | 4.484 |
| logSw: | -4.2684 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.072 |
| InChI Key: | SJACLVGLYFOYGV-UHFFFAOYSA-N |