2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
Chemical Structure Depiction of
2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | 8009-9745 |
| Compound Name: | 2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide |
| Molecular Weight: | 506.44 |
| Molecular Formula: | C19 H20 Br N7 O S2 |
| Smiles: | CCC(C(Nc1nnc(C(C)C)s1)=O)Sc1nc2c(c3cc(ccc3n2C)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9435 |
| logD: | 4.8262 |
| logSw: | -4.6331 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.696 |
| InChI Key: | YYGHGJFSEGYZTC-ZDUSSCGKSA-N |