N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | D026-0013 |
| Compound Name: | N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide |
| Molecular Weight: | 517.67 |
| Molecular Formula: | C26 H27 N7 O S2 |
| Smiles: | CCCn1c2ccccc2c2c1nc(nn2)SC(CC)C(NC1=NN=C(CS1)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1658 |
| logD: | 6.1651 |
| logSw: | -5.7567 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.003 |
| InChI Key: | GVMVYBGCSGNLJS-NRFANRHFSA-N |