3-methyl-5-oxo-5-{4-[(1H-1,2,4-triazol-1-yl)methyl]anilino}pentanoic acid
Chemical Structure Depiction of
3-methyl-5-oxo-5-{4-[(1H-1,2,4-triazol-1-yl)methyl]anilino}pentanoic acid
3-methyl-5-oxo-5-{4-[(1H-1,2,4-triazol-1-yl)methyl]anilino}pentanoic acid
Compound characteristics
| Compound ID: | Y200-5804 |
| Compound Name: | 3-methyl-5-oxo-5-{4-[(1H-1,2,4-triazol-1-yl)methyl]anilino}pentanoic acid |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C15 H18 N4 O3 |
| Smiles: | CC(CC(O)=O)CC(Nc1ccc(Cn2cncn2)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4683 |
| logD: | -2.0982 |
| logSw: | -1.6342 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.748 |
| InChI Key: | CYCHRHPBMWTCJC-NSHDSACASA-N |