2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
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]acetamide
2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
Compound ID: | 8009-7113 |
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]acetamide |
Molecular Weight: | 459.45 |
Molecular Formula: | C21 H16 F3 N5 O2 S |
Smiles: | C=CCn1c2ccccc2c2c1nc(nn2)SCC(Nc1ccc(cc1)OC(F)(F)F)=O |
Stereo: | ACHIRAL |
logP: | 5.1148 |
logD: | 5.1148 |
logSw: | -5.4412 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.043 |
InChI Key: | QVLLPVSDXPKYJM-UHFFFAOYSA-N |