methyl 2-(3-methyl-4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3-methyl-4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(3-methyl-4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-2606 |
| Compound Name: | methyl 2-(3-methyl-4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 374.41 |
| Molecular Formula: | C18 H18 N2 O5 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1755 |
| logD: | -0.1687 |
| logSw: | -4.5559 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.299 |
| InChI Key: | RFQDEBUMEBXRBB-UHFFFAOYSA-N |