methyl S-benzyl-N-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)cysteinate
Chemical Structure Depiction of
methyl S-benzyl-N-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)cysteinate
methyl S-benzyl-N-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)cysteinate
Compound characteristics
| Compound ID: | 8016-7048 |
| Compound Name: | methyl S-benzyl-N-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)cysteinate |
| Molecular Weight: | 507.63 |
| Molecular Formula: | C25 H25 N5 O3 S2 |
| Smiles: | COC(C(CSCc1ccccc1)NC(CSc1nc2c(c3ccccc3n2CC=C)nn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8287 |
| logD: | 3.8287 |
| logSw: | -4.0144 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.232 |
| InChI Key: | UBAZGQVDWHZDQN-IBGZPJMESA-N |