N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-1356 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 502.68 |
| Molecular Formula: | C30 H34 N2 O3 S |
| Smiles: | CCCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCc1ccc(c(c1)OCC)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0672 |
| logD: | 6.067 |
| logSw: | -5.4135 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.906 |
| InChI Key: | AHRRXJXXPXAUTA-UHFFFAOYSA-N |