4-({4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 6243-0781 |
| Compound Name: | 4-({4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]phenoxy}methyl)benzoic acid |
| Molecular Weight: | 448.48 |
| Molecular Formula: | C27 H20 N4 O3 |
| Smiles: | CC1/C(=C\c2ccc(cc2)OCc2ccc(cc2)C(O)=O)c2c(C)c(C#N)c(N)nc2C=1C#N |
| Stereo: | ACHIRAL |
| logP: | 4.714 |
| logD: | 1.7425 |
| logSw: | -4.7975 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.175 |
| InChI Key: | LSXIPJHASXLBPA-UHFFFAOYSA-N |