2-oxo-2H-1,3-benzoxathiol-6-yl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
Chemical Structure Depiction of
2-oxo-2H-1,3-benzoxathiol-6-yl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
2-oxo-2H-1,3-benzoxathiol-6-yl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | G784-0613 |
| Compound Name: | 2-oxo-2H-1,3-benzoxathiol-6-yl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C20 H12 N2 O4 S2 |
| Smiles: | Cc1c2cc(C(=O)Oc3ccc4c(c3)OC(=O)S4)sc2n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2784 |
| logD: | 4.2784 |
| logSw: | -4.4395 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.463 |
| InChI Key: | JXXNANKHYWMSQD-UHFFFAOYSA-N |