6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl 4-methoxybenzoate
Chemical Structure Depiction of
6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl 4-methoxybenzoate
6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl 4-methoxybenzoate
Compound characteristics
| Compound ID: | Y042-7812 |
| Compound Name: | 6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl 4-methoxybenzoate |
| Molecular Weight: | 372.8 |
| Molecular Formula: | C20 H17 Cl O5 |
| Smiles: | CCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7865 |
| logD: | 4.7865 |
| logSw: | -4.9865 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.654 |
| InChI Key: | QZSAAPXAQATUQY-UHFFFAOYSA-N |