1-(2,3-dimethylphenyl)-5-{4-[(furan-2-carbonyl)amino]-2-(morpholine-4-sulfonyl)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-5-{4-[(furan-2-carbonyl)amino]-2-(morpholine-4-sulfonyl)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
1-(2,3-dimethylphenyl)-5-{4-[(furan-2-carbonyl)amino]-2-(morpholine-4-sulfonyl)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V029-4540 |
| Compound Name: | 1-(2,3-dimethylphenyl)-5-{4-[(furan-2-carbonyl)amino]-2-(morpholine-4-sulfonyl)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 580.62 |
| Molecular Formula: | C28 H28 N4 O8 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1C)n1c(c(C)c(C(O)=O)n1)Oc1ccc(cc1S(N1CCOCC1)(=O)=O)NC(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6745 |
| logD: | -0.8415 |
| logSw: | -4.0012 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.597 |
| InChI Key: | HEGRPEQDRGCIJN-UHFFFAOYSA-N |