ethyl 2-[2-(4-iodo-1H-pyrazol-1-yl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(4-iodo-1H-pyrazol-1-yl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[2-(4-iodo-1H-pyrazol-1-yl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8017-6974 |
| Compound Name: | ethyl 2-[2-(4-iodo-1H-pyrazol-1-yl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 473.33 |
| Molecular Formula: | C17 H20 I N3 O3 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(Cn1cc(cn1)I)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1668 |
| logD: | 1.996 |
| logSw: | -4.0864 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.693 |
| InChI Key: | VROCDQRLMYKREX-UHFFFAOYSA-N |