propyl 2-[2-(2,4,6-trichlorophenoxy)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-[2-(2,4,6-trichlorophenoxy)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
propyl 2-[2-(2,4,6-trichlorophenoxy)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-5336 |
| Compound Name: | propyl 2-[2-(2,4,6-trichlorophenoxy)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 490.83 |
| Molecular Formula: | C21 H22 Cl3 N O4 S |
| Smiles: | CCCOC(c1c2CCCCCc2sc1NC(COc1c(cc(cc1[Cl])[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0394 |
| logD: | 4.8576 |
| logSw: | -6.8646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.882 |
| InChI Key: | KLWLJMWVMAABSL-UHFFFAOYSA-N |