3,4,7-trimethyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3,4,7-trimethyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
3,4,7-trimethyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-1395 |
| Compound Name: | 3,4,7-trimethyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 367.36 |
| Molecular Formula: | C20 H17 N O6 |
| Smiles: | CC1=C(C)c2c(cc(C)cc2OC1=O)OCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3502 |
| logD: | 4.3502 |
| logSw: | -4.7055 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.103 |
| InChI Key: | NRWNTPVCCTWHKK-UHFFFAOYSA-N |