2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | Y500-6377 |
| Compound Name: | 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide |
| Molecular Weight: | 442.97 |
| Molecular Formula: | C22 H23 Cl N4 O2 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSc1nnc(COc2ccc(cc2)[Cl])n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5367 |
| logD: | 4.5367 |
| logSw: | -4.6304 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.146 |
| InChI Key: | JBQFBMJBQHRNIX-UHFFFAOYSA-N |