ethyl 4-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}benzoate
ethyl 4-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}benzoate
Compound characteristics
| Compound ID: | 7151-0033 |
| Compound Name: | ethyl 4-{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}benzoate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | CCC(C(Nc1ccc(cc1)C(=O)OCC)=O)Sc1nc2c(c3ccccc3n2C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.552 |
| logD: | 4.5517 |
| logSw: | -4.2155 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.905 |
| InChI Key: | DZXAARYNIBUPEZ-SFHVURJKSA-N |