5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V028-1635 |
| Compound Name: | 5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 556.64 |
| Molecular Formula: | C27 H32 N4 O7 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(O)=O)nn(c2ccccc2)c1Oc1ccc(cc1S(N1CCOCC1)(=O)=O)NC(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6176 |
| logD: | -0.8983 |
| logSw: | -3.9034 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.377 |
| InChI Key: | MUJBPUPTFDWHJU-UHFFFAOYSA-N |