2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]butanamide
Chemical Structure Depiction of
2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]butanamide
2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]butanamide
Compound characteristics
| Compound ID: | 8009-8382 |
| Compound Name: | 2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]butanamide |
| Molecular Weight: | 540.36 |
| Molecular Formula: | C21 H17 Br F3 N5 O2 S |
| Smiles: | CCC(C(Nc1ccc(cc1)OC(F)(F)F)=O)Sc1nc2c(c3cc(ccc3n2C)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9774 |
| logD: | 5.9774 |
| logSw: | -5.5722 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.088 |
| InChI Key: | UBLALKSORGXHGZ-INIZCTEOSA-N |