5,6-bis(3,4-dimethoxyphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-triazine
Chemical Structure Depiction of
5,6-bis(3,4-dimethoxyphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-triazine
5,6-bis(3,4-dimethoxyphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-triazine
Compound characteristics
| Compound ID: | K216-2534 |
| Compound Name: | 5,6-bis(3,4-dimethoxyphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}-1,2,4-triazine |
| Molecular Weight: | 520.56 |
| Molecular Formula: | C26 H24 N4 O6 S |
| Smiles: | COc1ccc(cc1OC)c1c(c2ccc(c(c2)OC)OC)nnc(n1)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3046 |
| logD: | 4.3046 |
| logSw: | -4.4745 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.288 |
| InChI Key: | SEHNBMHXXGMLJC-UHFFFAOYSA-N |