N-{[4-(3,4-dichlorophenyl)-5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-2,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{[4-(3,4-dichlorophenyl)-5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-2,4-dimethoxybenzamide
N-{[4-(3,4-dichlorophenyl)-5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-2,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | K400-05779 |
| Compound Name: | N-{[4-(3,4-dichlorophenyl)-5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-2,4-dimethoxybenzamide |
| Molecular Weight: | 598.51 |
| Molecular Formula: | C28 H25 Cl2 N5 O4 S |
| Smiles: | COc1ccc(C(NCc2nnc(n2c2ccc(c(c2)[Cl])[Cl])SCC(N2CCc3ccccc23)=O)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.3235 |
| logD: | 5.3234 |
| logSw: | -5.8305 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.971 |
| InChI Key: | JQAWKZWTHRSVNH-UHFFFAOYSA-N |