ethyl 4-{3-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
ethyl 4-{3-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | 3288-0600 |
| Compound Name: | ethyl 4-{3-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate |
| Molecular Weight: | 587.68 |
| Molecular Formula: | C38 H29 N5 O2 |
| Smiles: | CCOC(c1ccc(cc1)n1c(cc(\C=C2/C(C)=C(C#N)c3c2c(C)c(C#N)c(N)n3)c1c1ccccc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8531 |
| logD: | 7.8531 |
| logSw: | -5.7871 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.474 |
| InChI Key: | CXFBBOMUVDRGJT-UHFFFAOYSA-N |