methyl phenyl{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}acetate
Chemical Structure Depiction of
methyl phenyl{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}acetate
methyl phenyl{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}acetate
Compound characteristics
| Compound ID: | 8016-2242 |
| Compound Name: | methyl phenyl{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamido}acetate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | CCCn1c2ccccc2c2c1nc(nn2)SCC(NC(C(=O)OC)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3307 |
| logD: | 3.3307 |
| logSw: | -3.5437 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.954 |
| InChI Key: | FZKDBJZKCGIXKS-LJQANCHMSA-N |