methyl 4-{2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8017-4606 |
| Compound Name: | methyl 4-{2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C19 H15 N5 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nc2c(c3ccccc3[nH]2)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7901 |
| logD: | 2.79 |
| logSw: | -3.3746 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.858 |
| InChI Key: | JIGUJAPVQGSQPU-UHFFFAOYSA-N |