5-{2-(4-ethylpiperazine-1-sulfonyl)-4-[(furan-2-carbonyl)amino]phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{2-(4-ethylpiperazine-1-sulfonyl)-4-[(furan-2-carbonyl)amino]phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
5-{2-(4-ethylpiperazine-1-sulfonyl)-4-[(furan-2-carbonyl)amino]phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-3618 |
| Compound Name: | 5-{2-(4-ethylpiperazine-1-sulfonyl)-4-[(furan-2-carbonyl)amino]phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 593.66 |
| Molecular Formula: | C29 H31 N5 O7 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)S(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1ccc(C)cc1)NC(c1ccco1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4416 |
| logD: | -1.0743 |
| logSw: | -3.7506 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.526 |
| InChI Key: | MQNHETGXXIIQBF-UHFFFAOYSA-N |