5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V005-0460 |
| Compound Name: | 5-[4-(3,3-dimethylbutanamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 508.59 |
| Molecular Formula: | C23 H32 N4 O7 S |
| Salt: | not_available |
| Smiles: | CCn1c(c(C)c(C(O)=O)n1)Oc1ccc(cc1S(N1CCOCC1)(=O)=O)NC(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3878 |
| logD: | -0.3251 |
| logSw: | -2.9706 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.237 |
| InChI Key: | AKWOTDXMPRQBRE-UHFFFAOYSA-N |