1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[5-(propan-2-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-(propan-2-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-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one
Compound characteristics
Compound ID: | D036-1719 |
Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one |
Molecular Weight: | 448.54 |
Molecular Formula: | C24 H24 N4 O3 S |
Smiles: | CC(C)n1c2ccccc2c2c1nc(nn2)SCCCC(c1ccc2c(c1)OCCO2)=O |
Stereo: | ACHIRAL |
logP: | 3.7782 |
logD: | 3.7782 |
logSw: | -4.1245 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 63.124 |
InChI Key: | MZCDBXCIOQIQEU-UHFFFAOYSA-N |