methyl 2-[2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8017-7059 |
| Compound Name: | methyl 2-[2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 473.33 |
| Molecular Formula: | C17 H20 I N3 O3 S |
| Smiles: | Cc1c(c(C)n(CC(Nc2c(C(=O)OC)c3CCCCc3s2)=O)n1)I |
| Stereo: | ACHIRAL |
| logP: | 2.9396 |
| logD: | 0.593 |
| logSw: | -3.2052 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.558 |
| InChI Key: | ICNLZFZXYTZJBP-UHFFFAOYSA-N |