2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]butanamide
Chemical Structure Depiction of
2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]butanamide
2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]butanamide
Compound characteristics
| Compound ID: | 8009-8380 |
| Compound Name: | 2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]butanamide |
| Molecular Weight: | 487.5 |
| Molecular Formula: | C23 H20 F3 N5 O2 S |
| Smiles: | CCC(C(Nc1ccc(cc1)OC(F)(F)F)=O)Sc1nc2c(c3ccccc3n2CC=C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0639 |
| logD: | 6.0639 |
| logSw: | -5.7508 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.256 |
| InChI Key: | GUTDMDNVNPCWKG-SFHVURJKSA-N |