methyl 4-(7-methyl-3,9-dioxo-2-{3-[(propan-2-yl)oxy]propyl}-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(7-methyl-3,9-dioxo-2-{3-[(propan-2-yl)oxy]propyl}-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl)benzoate
methyl 4-(7-methyl-3,9-dioxo-2-{3-[(propan-2-yl)oxy]propyl}-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | Y070-3644 |
| Compound Name: | methyl 4-(7-methyl-3,9-dioxo-2-{3-[(propan-2-yl)oxy]propyl}-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl)benzoate |
| Molecular Weight: | 449.5 |
| Molecular Formula: | C26 H27 N O6 |
| Smiles: | CC(C)OCCCN1C(C2=C(C1=O)Oc1ccc(C)cc1C2=O)c1ccc(cc1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0438 |
| logD: | 4.0438 |
| logSw: | -4.1784 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.358 |
| InChI Key: | KJUYYLXQYBTGDG-JOCHJYFZSA-N |