ethyl 2-[2-(3-methyl-4-nitrophenoxy)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(3-methyl-4-nitrophenoxy)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[2-(3-methyl-4-nitrophenoxy)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-0614 |
| Compound Name: | ethyl 2-[2-(3-methyl-4-nitrophenoxy)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 432.49 |
| Molecular Formula: | C21 H24 N2 O6 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(COc1ccc(c(C)c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1116 |
| logD: | 2.9298 |
| logSw: | -5.0551 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.496 |
| InChI Key: | DEYPXCRAXULSAN-UHFFFAOYSA-N |