methyl 2-[2-(3,4-dimethylphenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(3,4-dimethylphenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(3,4-dimethylphenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-3477 |
| Compound Name: | methyl 2-[2-(3,4-dimethylphenoxy)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C21 H25 N O4 S |
| Smiles: | CC(C(Nc1c(C(=O)OC)c2CCCCc2s1)=O)Oc1ccc(C)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0676 |
| logD: | 2.6348 |
| logSw: | -4.823 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.007 |
| InChI Key: | JVGAHABOPQDNFI-AWEZNQCLSA-N |