N-(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-1,2,4-triazol-3-yl)-2-methoxybenzamide
Chemical Structure Depiction of
N-(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-1,2,4-triazol-3-yl)-2-methoxybenzamide
N-(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-1,2,4-triazol-3-yl)-2-methoxybenzamide
Compound characteristics
| Compound ID: | Y020-1106 |
| Compound Name: | N-(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-1,2,4-triazol-3-yl)-2-methoxybenzamide |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C18 H15 N5 O2 S2 |
| Smiles: | COc1ccccc1C(Nc1nc(CSc2nc3ccccc3s2)[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1326 |
| logD: | 2.3973 |
| logSw: | -4.3926 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.951 |
| InChI Key: | OYQFANQOVVLYCO-UHFFFAOYSA-N |