1-(2,3-dimethylphenyl)-4-methyl-5-{2-(morpholine-4-sulfonyl)-4-[(thiophene-2-carbonyl)amino]phenoxy}-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-4-methyl-5-{2-(morpholine-4-sulfonyl)-4-[(thiophene-2-carbonyl)amino]phenoxy}-1H-pyrazole-3-carboxylic acid
1-(2,3-dimethylphenyl)-4-methyl-5-{2-(morpholine-4-sulfonyl)-4-[(thiophene-2-carbonyl)amino]phenoxy}-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V029-4563 |
| Compound Name: | 1-(2,3-dimethylphenyl)-4-methyl-5-{2-(morpholine-4-sulfonyl)-4-[(thiophene-2-carbonyl)amino]phenoxy}-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 596.68 |
| Molecular Formula: | C28 H28 N4 O7 S2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1C)n1c(c(C)c(C(O)=O)n1)Oc1ccc(cc1S(N1CCOCC1)(=O)=O)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3146 |
| logD: | -0.2014 |
| logSw: | -4.2415 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.037 |
| InChI Key: | SPZXHNITUOOUAN-UHFFFAOYSA-N |