methyl {2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}(phenyl)acetate
Chemical Structure Depiction of
methyl {2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}(phenyl)acetate
methyl {2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}(phenyl)acetate
Compound characteristics
| Compound ID: | 8016-2241 |
| Compound Name: | methyl {2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}(phenyl)acetate |
| Molecular Weight: | 421.48 |
| Molecular Formula: | C21 H19 N5 O3 S |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)SCC(NC(C(=O)OC)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1629 |
| logD: | 2.1628 |
| logSw: | -2.6059 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.786 |
| InChI Key: | YGFNCFGLKQFTIY-QGZVFWFLSA-N |