methyl 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl}benzoate
methyl 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 5128-0763 |
| Compound Name: | methyl 2-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C25 H18 N4 O3 |
| Smiles: | CC1/C(=C/c2ccc(c3ccccc3C(=O)OC)o2)c2c(C)c(C#N)c(N)nc2C=1C#N |
| Stereo: | ACHIRAL |
| logP: | 4.1607 |
| logD: | 4.1607 |
| logSw: | -4.7435 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.283 |
| InChI Key: | IVZIFLIUJOJJIB-UHFFFAOYSA-N |