3-ethyl-7-[(2-methoxy-5-nitrophenyl)methoxy]-4,8-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-ethyl-7-[(2-methoxy-5-nitrophenyl)methoxy]-4,8-dimethyl-2H-1-benzopyran-2-one
3-ethyl-7-[(2-methoxy-5-nitrophenyl)methoxy]-4,8-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7038 |
| Compound Name: | 3-ethyl-7-[(2-methoxy-5-nitrophenyl)methoxy]-4,8-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C21 H21 N O6 |
| Smiles: | CCC1=C(C)c2ccc(c(C)c2OC1=O)OCc1cc(ccc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6857 |
| logD: | 4.6857 |
| logSw: | -4.7145 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.171 |
| InChI Key: | BBSHJCDVMULMHY-UHFFFAOYSA-N |