ethyl {[6-(2-ethylbutanamido)-1,3-benzothiazol-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[6-(2-ethylbutanamido)-1,3-benzothiazol-2-yl]sulfanyl}acetate
ethyl {[6-(2-ethylbutanamido)-1,3-benzothiazol-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D336-5986 |
| Compound Name: | ethyl {[6-(2-ethylbutanamido)-1,3-benzothiazol-2-yl]sulfanyl}acetate |
| Molecular Weight: | 366.5 |
| Molecular Formula: | C17 H22 N2 O3 S2 |
| Smiles: | CCC(CC)C(Nc1ccc2c(c1)sc(n2)SCC(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3392 |
| logD: | 4.3391 |
| logSw: | -4.1898 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.841 |
| InChI Key: | UQOVGVKWPXWMGF-UHFFFAOYSA-N |