4-butyl-6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
4-butyl-6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7599 |
| Compound Name: | 4-butyl-6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 417.84 |
| Molecular Formula: | C21 H20 Cl N O6 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCc1cc(ccc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6078 |
| logD: | 5.6078 |
| logSw: | -6.0126 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.972 |
| InChI Key: | IGPJSLDZSTZPIV-UHFFFAOYSA-N |