methyl 4-{[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}benzoate
methyl 4-{[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | 8012-9258 |
| Compound Name: | methyl 4-{[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 350.4 |
| Molecular Formula: | C18 H14 N4 O2 S |
| Smiles: | COC(c1ccc(CSc2nc3c(c4ccccc4[nH]3)nn2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1146 |
| logD: | 3.1146 |
| logSw: | -3.2579 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.708 |
| InChI Key: | KXWVTMMCWKUNBV-UHFFFAOYSA-N |