N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5-methyl-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-methyl-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-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | D026-0005 |
| Compound Name: | N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide |
| Molecular Weight: | 489.62 |
| Molecular Formula: | C24 H23 N7 O S2 |
| Smiles: | CCC(C(NC1=NN=C(CS1)c1ccc(C)cc1)=O)Sc1nc2c(c3ccccc3n2C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9979 |
| logD: | 4.9973 |
| logSw: | -4.7593 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.834 |
| InChI Key: | QHAGWBJWOFHMSA-IBGZPJMESA-N |