methyl 2-[({3-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}sulfamoyl)methyl]benzoate
Chemical Structure Depiction of
methyl 2-[({3-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}sulfamoyl)methyl]benzoate
methyl 2-[({3-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}sulfamoyl)methyl]benzoate
Compound characteristics
| Compound ID: | V029-9541 |
| Compound Name: | methyl 2-[({3-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}sulfamoyl)methyl]benzoate |
| Molecular Weight: | 561.44 |
| Molecular Formula: | C25 H22 Cl2 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCOc1nc(c2ccc(c(c2)[Cl])[Cl])n(c2cccc(c2)NS(Cc2ccccc2C(=O)OC)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.7144 |
| logD: | 6.7086 |
| logSw: | -6.3302 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.264 |
| InChI Key: | YSWMSCQRCGGMIF-UHFFFAOYSA-N |