methyl N-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)phenylalaninate
Chemical Structure Depiction of
methyl N-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)phenylalaninate
methyl N-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)phenylalaninate
Compound characteristics
| Compound ID: | 4570-0006 |
| Compound Name: | methyl N-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)phenylalaninate |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C24 H23 N5 O3 S |
| Smiles: | COC(C(Cc1ccccc1)NC(CSc1nc2c(c3ccccc3n2CC=C)nn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3894 |
| logD: | 3.3894 |
| logSw: | -3.6849 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.232 |
| InChI Key: | CDROONRNRAHMPM-SFHVURJKSA-N |