methyl 2-[4-(3-methylphenoxy)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[4-(3-methylphenoxy)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[4-(3-methylphenoxy)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4358-3316 |
| Compound Name: | methyl 2-[4-(3-methylphenoxy)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C21 H25 N O4 S |
| Smiles: | Cc1cccc(c1)OCCCC(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4929 |
| logD: | 2.1692 |
| logSw: | -4.5061 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.423 |
| InChI Key: | VAKKOEKIHPKVBA-UHFFFAOYSA-N |