N-(3,4-dimethoxyphenyl)-4-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-4-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(3,4-dimethoxyphenyl)-4-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V015-2822 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-4-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 542.61 |
| Molecular Formula: | C29 H26 N4 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(c2ccco2)nnc1SCc1ccc(cc1)C(Nc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4099 |
| logD: | 4.4082 |
| logSw: | -4.3461 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.187 |
| InChI Key: | UCYXRHDCQDJJHT-UHFFFAOYSA-N |