2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-butylbutanamide
Chemical Structure Depiction of
2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-butylbutanamide
2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-butylbutanamide
Compound characteristics
| Compound ID: | K216-2558 |
| Compound Name: | 2-{[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-butylbutanamide |
| Molecular Weight: | 526.65 |
| Molecular Formula: | C27 H34 N4 O5 S |
| Smiles: | CCCCNC(C(CC)Sc1nc(c2ccc(c(c2)OC)OC)c(c2ccc(c(c2)OC)OC)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5734 |
| logD: | 4.5734 |
| logSw: | -4.4139 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.705 |
| InChI Key: | CUATYEHVFXUJSB-QHCPKHFHSA-N |