1-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: | D036-1718 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C24 H22 N4 O3 S |
| Smiles: | C=CCn1c2ccccc2c2c1nc(nn2)SCCCC(c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8686 |
| logD: | 3.8686 |
| logSw: | -4.2708 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.027 |
| InChI Key: | OGVUCKXDLHEKKT-UHFFFAOYSA-N |