2-(3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-(3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-(3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 0622-0120 |
| Compound Name: | 2-(3-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 345.37 |
| Molecular Formula: | C16 H15 N3 O4 S |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(c1cccc(c1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 1.9402 |
| logD: | -0.7627 |
| logSw: | -2.8016 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.485 |
| InChI Key: | UYZQNCIMGGASIX-UHFFFAOYSA-N |