N-(3,4-dimethoxyphenyl)-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamide
N-(3,4-dimethoxyphenyl)-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D718-1165 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C18 H16 N4 O3 S2 |
| Smiles: | COc1ccc(cc1OC)NC(CSc1nnc2n1c1ccccc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9659 |
| logD: | 2.9659 |
| logSw: | -3.3848 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.717 |
| InChI Key: | UTNGSEYCANJOPR-UHFFFAOYSA-N |