methyl 2-[2-(4-chlorophenoxy)acetamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(4-chlorophenoxy)acetamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-[2-(4-chlorophenoxy)acetamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-1499 |
| Compound Name: | methyl 2-[2-(4-chlorophenoxy)acetamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 407.91 |
| Molecular Formula: | C20 H22 Cl N O4 S |
| Smiles: | COC(c1c2CCCCCCc2sc1NC(COc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3512 |
| logD: | 3.1694 |
| logSw: | -6.0791 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.835 |
| InChI Key: | JVNKEFANUUXDSJ-UHFFFAOYSA-N |