2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)butanamide
Chemical Structure Depiction of
2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)butanamide
2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)butanamide
Compound characteristics
| Compound ID: | K216-2964 |
| Compound Name: | 2-{[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)butanamide |
| Molecular Weight: | 609.14 |
| Molecular Formula: | C31 H33 Cl N4 O5 S |
| Smiles: | CCC(C(Nc1cccc(c1)[Cl])=O)Sc1nc(c2ccc(c(c2)OC)OCC)c(c2ccc(c(c2)OC)OCC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4484 |
| logD: | 6.448 |
| logSw: | -6.2883 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.429 |
| InChI Key: | YFXGTLAZLTUBKW-MHZLTWQESA-N |