N-[2-(3,4-dimethoxyphenyl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-0370 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C27 H28 N2 O3 S |
| Smiles: | CCCC1c2ccccc2Sc2ccc(cc2N=1)C(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9915 |
| logD: | 4.9913 |
| logSw: | -4.4833 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.746 |
| InChI Key: | XMMQACCTXAKFFL-UHFFFAOYSA-N |