methyl {2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}(phenyl)acetate
Chemical Structure Depiction of
methyl {2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}(phenyl)acetate
methyl {2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}(phenyl)acetate
Compound characteristics
| Compound ID: | 7151-0023 |
| Compound Name: | methyl {2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamido}(phenyl)acetate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | CCC(C(NC(C(=O)OC)c1ccccc1)=O)Sc1nc2c(c3ccccc3n2C)nn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3752 |
| logD: | 3.3752 |
| logSw: | -3.6317 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.999 |
| InChI Key: | FHOXDLLMWGBVCM-UHFFFAOYSA-N |