6-chloro-3,4-dimethyl-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3,4-dimethyl-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-1-benzopyran-2-one
6-chloro-3,4-dimethyl-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-4221 |
| Compound Name: | 6-chloro-3,4-dimethyl-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-1-benzopyran-2-one |
| Molecular Weight: | 411.88 |
| Molecular Formula: | C23 H22 Cl N O4 |
| Smiles: | CC1=C(C)c2cc(c(cc2OC1=O)OCC(c1ccc(cc1)N1CCCC1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2288 |
| logD: | 5.2288 |
| logSw: | -5.6023 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.54 |
| InChI Key: | JJBYSBFECLWGJX-UHFFFAOYSA-N |