4-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]anilino}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]anilino}-4-oxobutanoic acid
4-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]anilino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y503-3525 |
| Compound Name: | 4-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]anilino}-4-oxobutanoic acid |
| Molecular Weight: | 380.24 |
| Molecular Formula: | C16 H18 Br N3 O3 |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)NC(CCC(O)=O)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.355 |
| logD: | -1.5944 |
| logSw: | -2.0413 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.053 |
| InChI Key: | DAUVXQSCVAFWJT-UHFFFAOYSA-N |