1-(2,3-dimethylphenyl)-5-[4-(4-fluorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-5-[4-(4-fluorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
1-(2,3-dimethylphenyl)-5-[4-(4-fluorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-2271 |
| Compound Name: | 1-(2,3-dimethylphenyl)-5-[4-(4-fluorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 608.65 |
| Molecular Formula: | C30 H29 F N4 O7 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1C)n1c(c(C)c(C(O)=O)n1)Oc1ccc(cc1S(N1CCOCC1)(=O)=O)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4311 |
| logD: | -0.0849 |
| logSw: | -4.2721 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.018 |
| InChI Key: | JDUYNDZSQGIGCH-UHFFFAOYSA-N |