propan-2-yl 2-[2-(4-iodophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[2-(4-iodophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-[2-(4-iodophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-5130 |
| Compound Name: | propan-2-yl 2-[2-(4-iodophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 499.37 |
| Molecular Formula: | C20 H22 I N O4 S |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(COc1ccc(cc1)I)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8678 |
| logD: | 3.6859 |
| logSw: | -5.5272 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.763 |
| InChI Key: | RECTYMZZHLRACP-UHFFFAOYSA-N |