ethyl 5-cyano-2-methyl-4-(3-methylphenyl)-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-2-methyl-4-(3-methylphenyl)-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate
ethyl 5-cyano-2-methyl-4-(3-methylphenyl)-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8017-7951 |
| Compound Name: | ethyl 5-cyano-2-methyl-4-(3-methylphenyl)-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 348.4 |
| Molecular Formula: | C21 H20 N2 O3 |
| Smiles: | CCOC(C1C(C(C#N)=C(n2cccc2)OC=1C)c1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2725 |
| logD: | 4.2725 |
| logSw: | -4.3273 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.229 |
| InChI Key: | NBJZBERBQXPYDA-LJQANCHMSA-N |