2-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
2-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-2189 |
| Compound Name: | 2-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 553.52 |
| Molecular Formula: | C28 H29 Br N2 O3 S |
| Smiles: | CCC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCCc1ccc(c(c1)OCC)OCC)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.9844 |
| logD: | 5.9842 |
| logSw: | -5.4545 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.906 |
| InChI Key: | QDONHNIWPXNUHO-UHFFFAOYSA-N |