methyl 2-(4-ethoxyphenyl)-4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-7-carboxylate
Chemical Structure Depiction of
methyl 2-(4-ethoxyphenyl)-4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-7-carboxylate
methyl 2-(4-ethoxyphenyl)-4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-7-carboxylate
Compound characteristics
| Compound ID: | E139-0364 |
| Compound Name: | methyl 2-(4-ethoxyphenyl)-4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-7-carboxylate |
| Molecular Weight: | 378.38 |
| Molecular Formula: | C21 H18 N2 O5 |
| Smiles: | CCOc1ccc(cc1)C1NC(C2Cc3cc(ccc3OC=2N=1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.633 |
| logD: | 3.5471 |
| logSw: | -3.8976 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.014 |
| InChI Key: | BXZMLDVQXHHOOH-UHFFFAOYSA-N |