2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K216-2585 |
| Compound Name: | 2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(5-chloro-2,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 613.09 |
| Molecular Formula: | C29 H29 Cl N4 O7 S |
| Smiles: | COc1cc(c(cc1NC(CSc1nc(c2ccc(c(c2)OC)OC)c(c2ccc(c(c2)OC)OC)nn1)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 4.3533 |
| logD: | 4.3456 |
| logSw: | -4.5211 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.619 |
| InChI Key: | RFIRKGOOEQTOBF-UHFFFAOYSA-N |