2-{[5-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
2-{[5-(prop-2-en-1-yl)-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: | D041-0018 |
| Compound Name: | 2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide |
| Molecular Weight: | 479.5 |
| Molecular Formula: | C19 H16 F3 N7 O S2 |
| Smiles: | CCC(C(Nc1nnc(C(F)(F)F)s1)=O)Sc1nc2c(c3ccccc3n2CC=C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9667 |
| logD: | 2.8434 |
| logSw: | -4.8053 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.864 |
| InChI Key: | HVXHRPCHNYJANU-LBPRGKRZSA-N |