N-(2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
Chemical Structure Depiction of
N-(2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
N-(2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
Compound characteristics
| Compound ID: | D336-0452 |
| Compound Name: | N-(2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C26 H23 N3 O3 S2 |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1nc2ccc(cc2s1)NC(COc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5794 |
| logD: | 5.5794 |
| logSw: | -5.7008 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.482 |
| InChI Key: | CGWXIHCZVVGEGT-UHFFFAOYSA-N |