2-chloro-5-(5-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(5-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}furan-2-yl)benzoic acid
2-chloro-5-(5-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}furan-2-yl)benzoic acid
Compound characteristics
Compound ID: | 2233-0464 |
Compound Name: | 2-chloro-5-(5-{(E)-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)imino]methyl}furan-2-yl)benzoic acid |
Molecular Weight: | 424.84 |
Molecular Formula: | C22 H17 Cl N2 O5 |
Smiles: | C1CC2C=CC1C1C2C(N(C1=O)/N=C/c1ccc(c2ccc(c(c2)C(O)=O)[Cl])o1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.3657 |
logD: | -1.0646 |
logSw: | -3.7098 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.997 |
InChI Key: | DQVLZPDJSKGTCB-UHFFFAOYSA-N |