propan-2-yl 2-[2-(3-methyl-4-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[2-(3-methyl-4-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-[2-(3-methyl-4-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-6132 |
| Compound Name: | propan-2-yl 2-[2-(3-methyl-4-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 432.49 |
| Molecular Formula: | C21 H24 N2 O6 S |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(COc1ccc(c(C)c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.126 |
| logD: | 2.9441 |
| logSw: | -5.1818 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.844 |
| InChI Key: | KJPAJHALJNIJHR-UHFFFAOYSA-N |