methyl 4-[3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-3-oxoprop-1-en-1-yl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-3-oxoprop-1-en-1-yl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
methyl 4-[3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-3-oxoprop-1-en-1-yl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K815-0024 |
| Compound Name: | methyl 4-[3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-3-oxoprop-1-en-1-yl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C25 H19 N O6 |
| Smiles: | Cc1c(C(=O)OC)c(/C=C/C(C2=C(c3ccccc3OC2=O)O)=O)c(c2ccccc2)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.4516 |
| logD: | -1.4313 |
| logSw: | -3.7752 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.09 |
| InChI Key: | QQCJQXCQMLXCIN-UHFFFAOYSA-N |