5-{4-[(cyclobutanecarbonyl)amino]-2-(4-ethylpiperazine-1-sulfonyl)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{4-[(cyclobutanecarbonyl)amino]-2-(4-ethylpiperazine-1-sulfonyl)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-{4-[(cyclobutanecarbonyl)amino]-2-(4-ethylpiperazine-1-sulfonyl)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V025-9713 |
| Compound Name: | 5-{4-[(cyclobutanecarbonyl)amino]-2-(4-ethylpiperazine-1-sulfonyl)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 585.65 |
| Molecular Formula: | C28 H32 F N5 O6 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)S(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1cccc(c1)F)NC(C1CCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4492 |
| logD: | -2.0668 |
| logSw: | -2.9034 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.471 |
| InChI Key: | HEISQPXNWLTDDT-UHFFFAOYSA-N |