methyl 2-(2-chloro-4-nitrobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-chloro-4-nitrobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(2-chloro-4-nitrobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2798-0821 |
| Compound Name: | methyl 2-(2-chloro-4-nitrobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 408.86 |
| Molecular Formula: | C18 H17 Cl N2 O5 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(c3ccc(cc3[Cl])[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6671 |
| logD: | -0.0785 |
| logSw: | -5.1631 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.6 |
| InChI Key: | ORULKKDBUFKXSB-SECBINFHSA-N |