ethyl N-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}phenylalaninate
Chemical Structure Depiction of
ethyl N-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}phenylalaninate
ethyl N-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}phenylalaninate
Compound characteristics
| Compound ID: | 8016-1950 |
| Compound Name: | ethyl N-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}phenylalaninate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | CCOC(C(Cc1ccccc1)NC(CSc1nc2c(c3ccccc3n2C)nn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9398 |
| logD: | 2.9398 |
| logSw: | -3.2666 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.644 |
| InChI Key: | IAYMMRZDTONQQU-KRWDZBQOSA-N |