methyl 4,5-dimethoxy-2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4,5-dimethoxy-2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate
methyl 4,5-dimethoxy-2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8015-9657 |
| Compound Name: | methyl 4,5-dimethoxy-2-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C22 H21 N5 O5 S |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)SCC(Nc1cc(c(cc1C(=O)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4015 |
| logD: | 2.1846 |
| logSw: | -3.135 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.675 |
| InChI Key: | BXWIZGONYZIMJQ-UHFFFAOYSA-N |