3-(3,4-dimethoxyphenyl)-4-methyl-6-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-methyl-6-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
3-(3,4-dimethoxyphenyl)-4-methyl-6-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | G856-6212 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-4-methyl-6-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 447.44 |
| Molecular Formula: | C25 H21 N O7 |
| Smiles: | CC1=C(C(=O)Oc2ccc(cc12)OCc1ccc(cc1)[N+]([O-])=O)c1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8596 |
| logD: | 4.8596 |
| logSw: | -4.9342 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.758 |
| InChI Key: | QYWGZRILAIAOAC-UHFFFAOYSA-N |