methyl 4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]benzoate
methyl 4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]benzoate
Compound characteristics
| Compound ID: | 6243-0086 |
| Compound Name: | methyl 4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]benzoate |
| Molecular Weight: | 356.38 |
| Molecular Formula: | C21 H16 N4 O2 |
| Smiles: | CC1/C(=C/c2ccc(cc2)C(=O)OC)c2c(C)c(C#N)c(N)nc2C=1C#N |
| Stereo: | ACHIRAL |
| logP: | 3.5422 |
| logD: | 3.5422 |
| logSw: | -3.8714 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.713 |
| InChI Key: | GSNSXRJLZYJKFL-UHFFFAOYSA-N |