5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-(2,3-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-(2,3-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-(2,3-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-3858 |
| Compound Name: | 5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-(2,3-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 584.69 |
| Molecular Formula: | C29 H36 N4 O7 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1C)n1c(c(C)c(C(O)=O)n1)Oc1ccc(cc1S(N1CCOCC1)(=O)=O)NC(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.634 |
| logD: | 0.118 |
| logSw: | -4.4095 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.076 |
| InChI Key: | BQIPMYPXRNGUMN-UHFFFAOYSA-N |