2-[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide
Chemical Structure Depiction of
2-[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide
2-[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide
Compound characteristics
| Compound ID: | D026-0021 |
| Compound Name: | 2-[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide |
| Molecular Weight: | 531.7 |
| Molecular Formula: | C27 H29 N7 O S2 |
| Smiles: | CCCCn1c2ccccc2c2c1nc(nn2)SC(CC)C(NC1=NN=C(CS1)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5839 |
| logD: | 6.5832 |
| logSw: | -5.8073 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.003 |
| InChI Key: | WDFLRRHAMIMJBS-QFIPXVFZSA-N |