2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
Compound ID: | 6959-1064 |
Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-fluoro-1-(4-hydroxyphenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
Molecular Weight: | 445.4 |
Molecular Formula: | C25 H16 F N O6 |
Smiles: | C(c1ccc2c(c1)OCO2)N1C(C2=C(C1=O)Oc1ccc(cc1C2=O)F)c1ccc(cc1)O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7501 |
logD: | 3.7489 |
logSw: | -4.0817 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.465 |
InChI Key: | KWWJREOFIOMAGP-JOCHJYFZSA-N |