2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)butanamide
Chemical Structure Depiction of
2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)butanamide
2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)butanamide
Compound characteristics
| Compound ID: | K216-2592 |
| Compound Name: | 2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(3-chlorophenyl)butanamide |
| Molecular Weight: | 581.09 |
| Molecular Formula: | C29 H29 Cl N4 O5 S |
| Smiles: | CCC(C(Nc1cccc(c1)[Cl])=O)Sc1nc(c2ccc(c(c2)OC)OC)c(c2ccc(c(c2)OC)OC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7572 |
| logD: | 5.7568 |
| logSw: | -5.9269 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.27 |
| InChI Key: | QBFCQTPJAZUBKV-VWLOTQADSA-N |