N-benzyl-2-[2-(2-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-benzyl-2-[2-(2-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-benzyl-2-[2-(2-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 4476-3792 |
| Compound Name: | N-benzyl-2-[2-(2-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C24 H23 N3 O5 S |
| Smiles: | C1CCc2c(C1)c(C(NCc1ccccc1)=O)c(NC(COc1ccccc1[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.2951 |
| logD: | 3.7576 |
| logSw: | -4.5744 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.911 |
| InChI Key: | ROINICGJROXPAP-UHFFFAOYSA-N |