methyl N-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)valinate
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)valinate
methyl N-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)valinate
Compound characteristics
| Compound ID: | 4570-0052 |
| Compound Name: | methyl N-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetyl)valinate |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C20 H23 N5 O3 S |
| Smiles: | CC(C)C(C(=O)OC)NC(CSc1nc2c(c3ccccc3n2CC=C)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1522 |
| logD: | 3.1522 |
| logSw: | -3.2206 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.226 |
| InChI Key: | SYKGCJIGRJXLTP-INIZCTEOSA-N |