2-(4-fluorobenzene-1-sulfonyl)-N-(2-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
2-(4-fluorobenzene-1-sulfonyl)-N-(2-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
2-(4-fluorobenzene-1-sulfonyl)-N-(2-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 6143-0042 |
| Compound Name: | 2-(4-fluorobenzene-1-sulfonyl)-N-(2-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 455.46 |
| Molecular Formula: | C22 H18 F N3 O5 S |
| Smiles: | C1C(C(Nc2ccccc2[N+]([O-])=O)=O)N(Cc2ccccc12)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4034 |
| logD: | 3.1439 |
| logSw: | -4.4325 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.556 |
| InChI Key: | UBTHPQRFRMYEDR-NRFANRHFSA-N |