{4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy}acetic acid
Chemical Structure Depiction of
{4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy}acetic acid
{4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy}acetic acid
Compound characteristics
| Compound ID: | 6243-0787 |
| Compound Name: | {4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy}acetic acid |
| Molecular Weight: | 481.3 |
| Molecular Formula: | C22 H17 Br N4 O4 |
| Smiles: | CC1/C(=C\c2cc(c(c(c2)[Br])OCC(O)=O)OC)c2c(C)c(C#N)c(N)nc2C=1C#N |
| Stereo: | ACHIRAL |
| logP: | 3.4218 |
| logD: | -0.8152 |
| logSw: | -3.7323 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.226 |
| InChI Key: | IZJCYYUYWAHSFD-UHFFFAOYSA-N |