1-(2,3-dimethylphenyl)-4-methyl-5-[4-(2-methylbenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-4-methyl-5-[4-(2-methylbenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-1H-pyrazole-3-carboxylic acid
1-(2,3-dimethylphenyl)-4-methyl-5-[4-(2-methylbenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-3906 |
| Compound Name: | 1-(2,3-dimethylphenyl)-4-methyl-5-[4-(2-methylbenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 604.68 |
| Molecular Formula: | C31 H32 N4 O7 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C(Nc1ccc(c(c1)S(N1CCOCC1)(=O)=O)Oc1c(C)c(C(O)=O)nn1c1cccc(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6209 |
| logD: | 0.1049 |
| logSw: | -4.1959 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.018 |
| InChI Key: | BRJKPAFDGKLMPE-UHFFFAOYSA-N |