3-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl}-2-methylbenzoic acid

Chemical Structure Depiction of
3-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl}-2-methylbenzoic acid
Available: 1142 mg
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mg
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Compound characteristics

Compound ID: 5128-0442
Compound Name: 3-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl}-2-methylbenzoic acid
Molecular Weight: 422.44
Molecular Formula: C25 H18 N4 O3
Smiles: CC1/C(=C\c2ccc(c3cccc(C(O)=O)c3C)o2)c2c(C)c(C#N)c(N)nc2C=1C#N
Stereo: ACHIRAL
logP: 4.5715
logD: 1.0818
logSw: -4.5658
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 3
Polar surface area: 100.518
InChI Key: VRRFOVSRBPDTDI-UHFFFAOYSA-N
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