3-(2H-1,3-benzodioxol-5-yl)-4-methyl-5-({[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-4-methyl-5-({[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazole
3-(2H-1,3-benzodioxol-5-yl)-4-methyl-5-({[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-8960 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-4-methyl-5-({[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C21 H18 N4 O2 S2 |
| Smiles: | Cc1cccc(c1)c1nc(CSc2nnc(c3ccc4c(c3)OCO4)n2C)cs1 |
| Stereo: | ACHIRAL |
| logP: | 5.3574 |
| logD: | 5.3574 |
| logSw: | -5.4942 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.396 |
| InChI Key: | OJJPKIWXJCVXDC-UHFFFAOYSA-N |