methyl 2-[2-(4-chloro-3-methylphenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(4-chloro-3-methylphenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(4-chloro-3-methylphenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2798-0846 |
| Compound Name: | methyl 2-[2-(4-chloro-3-methylphenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 407.91 |
| Molecular Formula: | C20 H22 Cl N O4 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(COc3ccc(c(C)c3)[Cl])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.478 |
| logD: | 3.2961 |
| logSw: | -6.2646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.504 |
| InChI Key: | YODAKRNAZNJRKB-LLVKDONJSA-N |