1-(2H-1,3-benzodioxol-5-yl)-2-[(5-{[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-2-[(5-{[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(2H-1,3-benzodioxol-5-yl)-2-[(5-{[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8018-3797 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-2-[(5-{[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 514.56 |
| Molecular Formula: | C26 H22 N6 O4 S |
| Smiles: | Cc1ccc(c(c1)n1nc2ccccc2n1)OCc1nnc(n1C)SCC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6386 |
| logD: | 4.6386 |
| logSw: | -4.5367 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.708 |
| InChI Key: | VBVOZKIODOHZEC-UHFFFAOYSA-N |