4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Chemical Structure Depiction of
4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y040-1706 |
| Compound Name: | 4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl thiophene-2-carboxylate |
| Molecular Weight: | 362.83 |
| Molecular Formula: | C18 H15 Cl O4 S |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.236 |
| logD: | 5.236 |
| logSw: | -5.6463 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.129 |
| InChI Key: | MCVHTOOWGGZAFZ-UHFFFAOYSA-N |