N-(3,4-dimethoxyphenyl)-4-({[4-(2-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-4-({[4-(2-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(3,4-dimethoxyphenyl)-4-({[4-(2-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V001-0122 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-4-({[4-(2-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 570.64 |
| Molecular Formula: | C31 H27 F N4 O4 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1nnc(n1c1ccccc1F)SCc1ccc(cc1)C(Nc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.492 |
| logD: | 5.4903 |
| logSw: | -5.4713 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.307 |
| InChI Key: | IBTAKIIBFRRGCO-UHFFFAOYSA-N |