3,4-bis(3,4-dimethoxyphenyl)-5-{[(3,4,5-trimethoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3,4-bis(3,4-dimethoxyphenyl)-5-{[(3,4,5-trimethoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3,4-bis(3,4-dimethoxyphenyl)-5-{[(3,4,5-trimethoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8018-4531 |
| Compound Name: | 3,4-bis(3,4-dimethoxyphenyl)-5-{[(3,4,5-trimethoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 553.63 |
| Molecular Formula: | C28 H31 N3 O7 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccc(c(c1)OC)OC)SCc1cc(c(c(c1)OC)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2953 |
| logD: | 4.2953 |
| logSw: | -4.42 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.212 |
| InChI Key: | DBCGJFLCCJSQGC-UHFFFAOYSA-N |