methyl N-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)leucinate
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)leucinate
methyl N-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)leucinate
Compound characteristics
| Compound ID: | 8009-7602 |
| Compound Name: | methyl N-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)leucinate |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H25 N5 O3 S |
| Smiles: | CC(C)CC(C(=O)OC)NC(CSc1nc2c(c3ccccc3n2CC=C)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.252 |
| logD: | 3.252 |
| logSw: | -3.5164 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.504 |
| InChI Key: | BSIPRKCTCKFJRU-HNNXBMFYSA-N |