6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | Y040-0102 |
| Compound Name: | 6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 432.86 |
| Molecular Formula: | C22 H21 Cl O7 |
| Smiles: | CCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2355 |
| logD: | 4.2355 |
| logSw: | -4.6134 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.088 |
| InChI Key: | BNFRLPLVQNCUQH-UHFFFAOYSA-N |