1-(2,3-dimethylphenyl)-N-(4-fluorophenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-N-(4-fluorophenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
1-(2,3-dimethylphenyl)-N-(4-fluorophenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V030-8476 |
| Compound Name: | 1-(2,3-dimethylphenyl)-N-(4-fluorophenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 593.63 |
| Molecular Formula: | C29 H28 F N5 O6 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1C)n1c(c(C)c(C(Nc2ccc(cc2)F)=O)n1)Oc1ccc(cc1S(N1CCCC1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.051 |
| logD: | 6.0505 |
| logSw: | -5.4608 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.449 |
| InChI Key: | GCSFEEHEKAGPTD-UHFFFAOYSA-N |