3-benzyl-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2H-1-benzopyran-2-one
3-benzyl-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7742 |
| Compound Name: | 3-benzyl-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 431.44 |
| Molecular Formula: | C25 H21 N O6 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(ccc12)OCc1cc(ccc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1452 |
| logD: | 5.1452 |
| logSw: | -5.1332 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.128 |
| InChI Key: | AVRWVUITJOMMHF-UHFFFAOYSA-N |