ethyl 6-ethyl-2-(3-methyl-4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-ethyl-2-(3-methyl-4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-ethyl-2-(3-methyl-4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-0004 |
| Compound Name: | ethyl 6-ethyl-2-(3-methyl-4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 416.49 |
| Molecular Formula: | C21 H24 N2 O5 S |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(c3ccc(c(C)c3)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5372 |
| logD: | 1.193 |
| logSw: | -5.5477 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.879 |
| InChI Key: | SWQZUTJVKKCBHN-CYBMUJFWSA-N |