1-(4-fluorophenyl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one
Chemical Structure Depiction of
1-(4-fluorophenyl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one
1-(4-fluorophenyl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one
Compound characteristics
| Compound ID: | D036-1713 |
| Compound Name: | 1-(4-fluorophenyl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C22 H19 F N4 O S |
| Smiles: | C=CCn1c2ccccc2c2c1nc(nn2)SCCCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6007 |
| logD: | 4.6007 |
| logSw: | -4.6086 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.204 |
| InChI Key: | GKBRWFMLAWBTKT-UHFFFAOYSA-N |