2-(4-chlorophenoxy)-N-{[4-(3,4-dichlorophenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}acetamide
Chemical Structure Depiction of
2-(4-chlorophenoxy)-N-{[4-(3,4-dichlorophenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}acetamide
2-(4-chlorophenoxy)-N-{[4-(3,4-dichlorophenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}acetamide
Compound characteristics
| Compound ID: | K400-08192 |
| Compound Name: | 2-(4-chlorophenoxy)-N-{[4-(3,4-dichlorophenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}acetamide |
| Molecular Weight: | 590.91 |
| Molecular Formula: | C26 H22 Cl3 N5 O3 S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc(CNC(COc2ccc(cc2)[Cl])=O)n1c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7485 |
| logD: | 5.7485 |
| logSw: | -5.9793 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.809 |
| InChI Key: | KJGSPQLUQPLRQA-UHFFFAOYSA-N |