propan-2-yl 2-(2-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-(2-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-(2-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-6394 |
| Compound Name: | propan-2-yl 2-(2-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C20 H22 N2 O5 S |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(c1cccc(c1C)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8906 |
| logD: | -0.4207 |
| logSw: | -4.6866 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.558 |
| InChI Key: | JIRMJEHJSZXPKF-UHFFFAOYSA-N |