methyl 2-[2-(4-iodo-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(4-iodo-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(4-iodo-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8017-5768 |
| Compound Name: | methyl 2-[2-(4-iodo-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 445.28 |
| Molecular Formula: | C15 H16 I N3 O3 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(Cn1cc(cn1)I)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2885 |
| logD: | 1.1178 |
| logSw: | -3.6238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.782 |
| InChI Key: | BMRBXNHIPWQEEM-UHFFFAOYSA-N |