methyl 6-[2-(4-bromo-3-methyl-1H-pyrazol-1-yl)acetamido]-3-chloro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 6-[2-(4-bromo-3-methyl-1H-pyrazol-1-yl)acetamido]-3-chloro-1-benzothiophene-2-carboxylate
methyl 6-[2-(4-bromo-3-methyl-1H-pyrazol-1-yl)acetamido]-3-chloro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y503-3974 |
| Compound Name: | methyl 6-[2-(4-bromo-3-methyl-1H-pyrazol-1-yl)acetamido]-3-chloro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 442.72 |
| Molecular Formula: | C16 H13 Br Cl N3 O3 S |
| Smiles: | Cc1c(cn(CC(Nc2ccc3c(c(C(=O)OC)sc3c2)[Cl])=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1064 |
| logD: | 4.1061 |
| logSw: | -4.5757 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.167 |
| InChI Key: | OVOBRNCYKZGDJL-UHFFFAOYSA-N |