3-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole
3-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 8012-4603 |
| Compound Name: | 3-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 410.88 |
| Molecular Formula: | C20 H15 Cl N4 O2 S |
| Smiles: | C=CCn1c2ccccc2c2c1nc(nn2)SCc1cc2c(cc1[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.2189 |
| logD: | 5.2189 |
| logSw: | -5.8558 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.072 |
| InChI Key: | IZKDHIMSZDRSDG-UHFFFAOYSA-N |