ethyl {[6-(3-methylbutanamido)-1,3-benzothiazol-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[6-(3-methylbutanamido)-1,3-benzothiazol-2-yl]sulfanyl}acetate
ethyl {[6-(3-methylbutanamido)-1,3-benzothiazol-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D336-5980 |
| Compound Name: | ethyl {[6-(3-methylbutanamido)-1,3-benzothiazol-2-yl]sulfanyl}acetate |
| Molecular Weight: | 352.47 |
| Molecular Formula: | C16 H20 N2 O3 S2 |
| Smiles: | CCOC(CSc1nc2ccc(cc2s1)NC(CC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1489 |
| logD: | 4.1489 |
| logSw: | -4.1114 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.628 |
| InChI Key: | KMYZSGDXIZOTCI-UHFFFAOYSA-N |