1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(5-propyl-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-propyl-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-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-1-one
Compound characteristics
| Compound ID: | D036-1717 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(5-propyl-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: | CCCn1c2ccccc2c2c1nc(nn2)SCCCC(c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1143 |
| logD: | 4.1143 |
| logSw: | -4.2522 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.027 |
| InChI Key: | HUQWEKHJMKGSKG-UHFFFAOYSA-N |