N-(1,3-benzothiazol-2-yl)-2-{[5-(3,4-dimethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-2-{[5-(3,4-dimethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(1,3-benzothiazol-2-yl)-2-{[5-(3,4-dimethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-6429 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-{[5-(3,4-dimethoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C20 H19 N5 O3 S2 |
| Smiles: | Cn1c(c2ccc(c(c2)OC)OC)nnc1SCC(Nc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.607 |
| logD: | 3.607 |
| logSw: | -3.8581 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.222 |
| InChI Key: | LMYXMDGOTWNVTO-UHFFFAOYSA-N |