9-hexyl-2-(6-hexyl-7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-8-hydroxy-4-methyl-5H-[1]benzopyrano[3,4-c]pyridin-5-one
Chemical Structure Depiction of
9-hexyl-2-(6-hexyl-7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-8-hydroxy-4-methyl-5H-[1]benzopyrano[3,4-c]pyridin-5-one
9-hexyl-2-(6-hexyl-7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-8-hydroxy-4-methyl-5H-[1]benzopyrano[3,4-c]pyridin-5-one
Compound characteristics
| Compound ID: | 1814-2234 |
| Compound Name: | 9-hexyl-2-(6-hexyl-7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-8-hydroxy-4-methyl-5H-[1]benzopyrano[3,4-c]pyridin-5-one |
| Molecular Weight: | 555.67 |
| Molecular Formula: | C34 H37 N O6 |
| Smiles: | CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c1cc2c3cc(CCCCCC)c(cc3OC(c2c(C)n1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 8.7472 |
| logD: | 8.7336 |
| logSw: | -5.7336 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.827 |
| InChI Key: | YSLGONBBOHSYOT-UHFFFAOYSA-N |