3-benzyl-6-chloro-4-methyl-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-6-chloro-4-methyl-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
3-benzyl-6-chloro-4-methyl-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7727 |
| Compound Name: | 3-benzyl-6-chloro-4-methyl-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 435.86 |
| Molecular Formula: | C24 H18 Cl N O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(c(cc12)[Cl])OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4212 |
| logD: | 6.4212 |
| logSw: | -6.1564 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.584 |
| InChI Key: | QBRHZGCSJOFBJG-UHFFFAOYSA-N |