methyl phenyl{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}acetate
Chemical Structure Depiction of
methyl phenyl{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}acetate
methyl phenyl{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}acetate
Compound characteristics
| Compound ID: | 7151-0025 |
| Compound Name: | methyl phenyl{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}acetate |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | CCCn1c2ccccc2c2c1nc(nn2)SC(CC)C(NC(C(=O)OC)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5431 |
| logD: | 4.543 |
| logSw: | -4.1983 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.168 |
| InChI Key: | DOGWUOJNJRAYEG-UHFFFAOYSA-N |