3-({4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Chemical Structure Depiction of
3-({4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
3-({4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 3699-1511 |
| Compound Name: | 3-({4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid |
| Molecular Weight: | 478.51 |
| Molecular Formula: | C28 H22 N4 O4 |
| Smiles: | CC1/C(=C\c2ccc(c(c2)OC)OCc2cccc(c2)C(O)=O)c2c(C)c(C#N)c(N)nc2C=1C#N |
| Stereo: | ACHIRAL |
| logP: | 4.4784 |
| logD: | 1.5809 |
| logSw: | -4.7354 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.892 |
| InChI Key: | JCOMAFUUJOCYMV-UHFFFAOYSA-N |