ethyl 4-{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}benzoate
ethyl 4-{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}benzoate
Compound characteristics
| Compound ID: | 7151-0035 |
| Compound Name: | ethyl 4-{2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}benzoate |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | CCCn1c2ccccc2c2c1nc(nn2)SC(CC)C(Nc1ccc(cc1)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7198 |
| logD: | 5.7195 |
| logSw: | -5.791 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.073 |
| InChI Key: | OYCYIEYDQCRPPC-FQEVSTJZSA-N |