5-methyl-2-(propan-2-yl)phenyl 3-chloro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
5-methyl-2-(propan-2-yl)phenyl 3-chloro-1-benzothiophene-2-carboxylate
5-methyl-2-(propan-2-yl)phenyl 3-chloro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 7883-9459 |
| Compound Name: | 5-methyl-2-(propan-2-yl)phenyl 3-chloro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 344.86 |
| Molecular Formula: | C19 H17 Cl O2 S |
| Smiles: | CC(C)c1ccc(C)cc1OC(c1c(c2ccccc2s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.6457 |
| logD: | 6.6457 |
| logSw: | -6.4459 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 21.4497 |
| InChI Key: | GTCVKKPMLGSIPX-UHFFFAOYSA-N |