N-(2-fluoro-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-(2-fluoro-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-(2-fluoro-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y500-6494 |
| Compound Name: | N-(2-fluoro-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 320.34 |
| Molecular Formula: | C15 H13 F N2 O3 S |
| Smiles: | C1CCc2c(C1)c(cs2)C(Nc1cc(ccc1F)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2684 |
| logD: | 3.9413 |
| logSw: | -4.4068 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.952 |
| InChI Key: | KJPFMQRIFJZBAJ-UHFFFAOYSA-N |