N-(2-methoxyethyl)-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(2-methoxyethyl)-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V025-4476 |
| Compound Name: | N-(2-methoxyethyl)-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 504.61 |
| Molecular Formula: | C27 H28 N4 O4 S |
| Salt: | not_available |
| Smiles: | COCCNC(c1ccc(CSc2nnc(c3cccc(c3)OC)n2c2ccccc2OC)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9391 |
| logD: | 3.939 |
| logSw: | -4.1044 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.455 |
| InChI Key: | CPEYRRQGMROFSJ-UHFFFAOYSA-N |