3-{[(2-chlorophenyl)methyl]sulfanyl}-5,6-bis(4-methoxyphenyl)-1,2,4-triazine
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methyl]sulfanyl}-5,6-bis(4-methoxyphenyl)-1,2,4-triazine
3-{[(2-chlorophenyl)methyl]sulfanyl}-5,6-bis(4-methoxyphenyl)-1,2,4-triazine
Compound characteristics
| Compound ID: | K216-0756 |
| Compound Name: | 3-{[(2-chlorophenyl)methyl]sulfanyl}-5,6-bis(4-methoxyphenyl)-1,2,4-triazine |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C24 H20 Cl N3 O2 S |
| Smiles: | COc1ccc(cc1)c1c(c2ccc(cc2)OC)nnc(n1)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8586 |
| logD: | 5.8586 |
| logSw: | -6.1312 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.473 |
| InChI Key: | GKCYTDCWTXDLIF-UHFFFAOYSA-N |