1-tert-butyl-5-[4-(4-fluorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-tert-butyl-5-[4-(4-fluorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
1-tert-butyl-5-[4-(4-fluorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V026-2457 |
| Compound Name: | 1-tert-butyl-5-[4-(4-fluorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 560.6 |
| Molecular Formula: | C26 H29 F N4 O7 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(O)=O)nn(c1Oc1ccc(cc1S(N1CCOCC1)(=O)=O)NC(c1ccc(cc1)F)=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 2.9837 |
| logD: | 0.2708 |
| logSw: | -3.4418 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.286 |
| InChI Key: | JTEMHWLVWNCULW-UHFFFAOYSA-N |