methyl 2-[4-(4-chlorophenoxy)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[4-(4-chlorophenoxy)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[4-(4-chlorophenoxy)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4358-3188 |
| Compound Name: | methyl 2-[4-(4-chlorophenoxy)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 407.91 |
| Molecular Formula: | C20 H22 Cl N O4 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(CCCOc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5963 |
| logD: | 2.2726 |
| logSw: | -4.9564 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.423 |
| InChI Key: | HPBKEZXIZLDFHK-UHFFFAOYSA-N |