2-({4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-({4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethan-1-one
2-({4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8018-0292 |
| Compound Name: | 2-({4-benzyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,4-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Smiles: | Cc1ccccc1OCc1nnc(n1Cc1ccccc1)SCC(c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8729 |
| logD: | 4.8729 |
| logSw: | -4.832 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.039 |
| InChI Key: | BVTMYIYEIGPIEI-UHFFFAOYSA-N |