methyl phenyl(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)acetate
Chemical Structure Depiction of
methyl phenyl(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)acetate
methyl phenyl(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)acetate
Compound characteristics
| Compound ID: | 8016-0053 |
| Compound Name: | methyl phenyl(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)acetate |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | COC(C(c1ccccc1)NC(CSc1nc2c(c3ccccc3n2CC=C)nn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.085 |
| logD: | 3.085 |
| logSw: | -3.312 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.954 |
| InChI Key: | GVXDSPSHWAQWHS-LJQANCHMSA-N |