2-[2-(4-methyl-2-nitrophenoxy)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
2-[2-(4-methyl-2-nitrophenoxy)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
2-[2-(4-methyl-2-nitrophenoxy)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y205-8528 |
| Compound Name: | 2-[2-(4-methyl-2-nitrophenoxy)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C19 H21 N3 O5 S |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)OCC(Nc1c(C(N)=O)c2CCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6042 |
| logD: | 2.2458 |
| logSw: | -3.2097 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.887 |
| InChI Key: | XCEYYOYUEUFYBH-UHFFFAOYSA-N |