5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(4-ethylpiperazine-1-sulfonyl)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(4-ethylpiperazine-1-sulfonyl)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(4-ethylpiperazine-1-sulfonyl)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-3587 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(4-ethylpiperazine-1-sulfonyl)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 651.67 |
| Molecular Formula: | C31 H30 F N5 O8 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)S(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1cccc(c1)F)NC(c1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7386 |
| logD: | -0.7774 |
| logSw: | -4.0103 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.063 |
| InChI Key: | TYAYFCRFYYATAL-UHFFFAOYSA-N |