3-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl}-2-methylbenzoic acid
Chemical Structure Depiction of
3-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl}-2-methylbenzoic acid
3-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl}-2-methylbenzoic acid
Compound characteristics
| Compound ID: | 5128-0442 |
| Compound Name: | 3-{5-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]furan-2-yl}-2-methylbenzoic acid |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C25 H18 N4 O3 |
| Smiles: | CC1/C(=C\c2ccc(c3cccc(C(O)=O)c3C)o2)c2c(C)c(C#N)c(N)nc2C=1C#N |
| Stereo: | ACHIRAL |
| logP: | 4.5715 |
| logD: | 1.0818 |
| logSw: | -4.5658 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.518 |
| InChI Key: | VRRFOVSRBPDTDI-UHFFFAOYSA-N |