1-phenyl-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-phenyl-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one
1-phenyl-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 3698-0025 |
| Compound Name: | 1-phenyl-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 360.44 |
| Molecular Formula: | C20 H16 N4 O S |
| Smiles: | C=CCn1c2ccccc2c2c1nc(nn2)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9457 |
| logD: | 3.9457 |
| logSw: | -4.2122 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.204 |
| InChI Key: | USSPXMSMTCVCAW-UHFFFAOYSA-N |