2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
Chemical Structure Depiction of
2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | D041-0017 |
| Compound Name: | 2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide |
| Molecular Weight: | 453.47 |
| Molecular Formula: | C17 H14 F3 N7 O S2 |
| Smiles: | CCC(C(Nc1nnc(C(F)(F)F)s1)=O)Sc1nc2c(c3ccccc3n2C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0446 |
| logD: | 1.9213 |
| logSw: | -4.0367 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.696 |
| InChI Key: | ZJIQUEGNALVMOF-JTQLQIEISA-N |