methyl 2-(3-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(3-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2425-4442 |
| Compound Name: | methyl 2-(3-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 329.42 |
| Molecular Formula: | C18 H19 N O3 S |
| Smiles: | Cc1cccc(c1)C(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1283 |
| logD: | -0.0446 |
| logSw: | -4.4324 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.218 |
| InChI Key: | KIIUUPRXBAGKAM-UHFFFAOYSA-N |