3-(4-methoxyphenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl 4-nitrobenzoate
Chemical Structure Depiction of
3-(4-methoxyphenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl 4-nitrobenzoate
3-(4-methoxyphenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | G856-6305 |
| Compound Name: | 3-(4-methoxyphenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl 4-nitrobenzoate |
| Molecular Weight: | 431.4 |
| Molecular Formula: | C24 H17 N O7 |
| Smiles: | CC1=C(C(=O)Oc2ccc(cc12)OC(c1ccc(cc1)[N+]([O-])=O)=O)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8376 |
| logD: | 4.8376 |
| logSw: | -4.7661 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.192 |
| InChI Key: | NJGVSKZMWXTTFE-UHFFFAOYSA-N |