3-[3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl]prop-2-enoic acid
Chemical Structure Depiction of
3-[3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl]prop-2-enoic acid
3-[3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl]prop-2-enoic acid
Compound characteristics
| Compound ID: | 2954-0015 |
| Compound Name: | 3-[3-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)phenyl]prop-2-enoic acid |
| Molecular Weight: | 346.38 |
| Molecular Formula: | C21 H18 N2 O3 |
| Smiles: | CC1=C(C(N=C(C)N1c1cccc(/C=C/C(O)=O)c1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1026 |
| logD: | 3.1026 |
| logSw: | -3.2218 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.125 |
| InChI Key: | LANYIAFGUJOXJZ-UHFFFAOYSA-N |