3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl thiophene-2-carboxylate
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl thiophene-2-carboxylate
3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G856-6290 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl thiophene-2-carboxylate |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C23 H18 O6 S |
| Smiles: | CC1=C(C(=O)Oc2ccc(cc12)OC(c1cccs1)=O)c1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4848 |
| logD: | 4.4848 |
| logSw: | -4.4986 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.546 |
| InChI Key: | NPFYKOJGPBHKIL-UHFFFAOYSA-N |