5-[4-(2-ethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[4-(2-ethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
5-[4-(2-ethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V004-5142 |
| Compound Name: | 5-[4-(2-ethylbutanamido)-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: | CCC(CC)C(Nc1ccc(c(c1)S(N1CCOCC1)(=O)=O)Oc1c(C)c(C(O)=O)nn1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3741 |
| logD: | -1.1419 |
| logSw: | -3.663 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.591 |
| InChI Key: | WHVMTFVZYLEGIY-UHFFFAOYSA-N |