methyl 4,5-dimethoxy-2-(2-{[5-(propan-2-yl)-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-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoate
methyl 4,5-dimethoxy-2-(2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8016-2178 |
| Compound Name: | methyl 4,5-dimethoxy-2-(2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 495.56 |
| Molecular Formula: | C24 H25 N5 O5 S |
| Smiles: | CC(C)n1c2ccccc2c2c1nc(nn2)SCC(Nc1cc(c(cc1C(=O)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2333 |
| logD: | 3.0163 |
| logSw: | -3.5047 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.94 |
| InChI Key: | OIRMQJXJUYLGLW-UHFFFAOYSA-N |