1-tert-butyl-4-methyl-5-{2-(4-methylpiperazine-1-sulfonyl)-4-[4-(trifluoromethyl)benzamido]phenoxy}-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-tert-butyl-4-methyl-5-{2-(4-methylpiperazine-1-sulfonyl)-4-[4-(trifluoromethyl)benzamido]phenoxy}-1H-pyrazole-3-carboxylic acid
1-tert-butyl-4-methyl-5-{2-(4-methylpiperazine-1-sulfonyl)-4-[4-(trifluoromethyl)benzamido]phenoxy}-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-1688 |
| Compound Name: | 1-tert-butyl-4-methyl-5-{2-(4-methylpiperazine-1-sulfonyl)-4-[4-(trifluoromethyl)benzamido]phenoxy}-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 623.65 |
| Molecular Formula: | C28 H32 F3 N5 O6 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(O)=O)nn(c1Oc1ccc(cc1S(N1CCN(C)CC1)(=O)=O)NC(c1ccc(cc1)C(F)(F)F)=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 3.7212 |
| logD: | 1.0082 |
| logSw: | -4.1369 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.854 |
| InChI Key: | FDEBSGAICOIYKR-UHFFFAOYSA-N |