3-{[(3-chlorophenyl)methyl]sulfanyl}-5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazine
Chemical Structure Depiction of
3-{[(3-chlorophenyl)methyl]sulfanyl}-5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazine
3-{[(3-chlorophenyl)methyl]sulfanyl}-5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazine
Compound characteristics
| Compound ID: | K784-3413 |
| Compound Name: | 3-{[(3-chlorophenyl)methyl]sulfanyl}-5,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazine |
| Molecular Weight: | 570.06 |
| Molecular Formula: | C28 H28 Cl N3 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1c(c2cc(c(c(c2)OC)OC)OC)nnc(n1)SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3791 |
| logD: | 5.3791 |
| logSw: | -6.0023 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.341 |
| InChI Key: | WKYMUWWLCZEZNK-UHFFFAOYSA-N |