N-(1,3-benzothiazol-2-yl)-2-{[5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-2-{[5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(1,3-benzothiazol-2-yl)-2-{[5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-7300 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-{[5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 445.95 |
| Molecular Formula: | C19 H16 Cl N5 O2 S2 |
| Smiles: | Cn1c(c2cc(ccc2OC)[Cl])nnc1SCC(Nc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2589 |
| logD: | 4.2589 |
| logSw: | -4.5572 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.592 |
| InChI Key: | IEYDBARJBCQVJI-UHFFFAOYSA-N |