methyl 4,5-dimethoxy-2-{2-[(5-propyl-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-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate
methyl 4,5-dimethoxy-2-{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8016-0646 |
| Compound Name: | methyl 4,5-dimethoxy-2-{2-[(5-propyl-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: | CCCn1c2ccccc2c2c1nc(nn2)SCC(Nc1cc(c(cc1C(=O)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5694 |
| logD: | 3.3524 |
| logSw: | -3.769 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.843 |
| InChI Key: | BNQADTMTZXKSRQ-UHFFFAOYSA-N |