propyl 2-(5-chloro-2-nitrobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-(5-chloro-2-nitrobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propyl 2-(5-chloro-2-nitrobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3365-5681 |
| Compound Name: | propyl 2-(5-chloro-2-nitrobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 436.91 |
| Molecular Formula: | C20 H21 Cl N2 O5 S |
| Smiles: | CCCOC(c1c2CCC(C)Cc2sc1NC(c1cc(ccc1[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3747 |
| logD: | -1.6083 |
| logSw: | -6.0461 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.173 |
| InChI Key: | DSZDFTCMUHZHLL-LLVKDONJSA-N |