methyl N-{[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}phenylalaninate
Chemical Structure Depiction of
methyl N-{[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}phenylalaninate
methyl N-{[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}phenylalaninate
Compound characteristics
| Compound ID: | 4570-0009 |
| Compound Name: | methyl N-{[(5-ethyl-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: | CCn1c2ccccc2c2c1nc(nn2)SCC(NC(Cc1ccccc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1777 |
| logD: | 3.1777 |
| logSw: | -3.2039 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.979 |
| InChI Key: | IEZQCGYQPINWLW-KRWDZBQOSA-N |