2-(4-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]anilino}butanamido)-5-(propan-2-yl)-1,3-thiazole-4-carboxylic acid
Chemical Structure Depiction of
2-(4-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]anilino}butanamido)-5-(propan-2-yl)-1,3-thiazole-4-carboxylic acid
2-(4-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]anilino}butanamido)-5-(propan-2-yl)-1,3-thiazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y043-3489 |
| Compound Name: | 2-(4-oxo-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]anilino}butanamido)-5-(propan-2-yl)-1,3-thiazole-4-carboxylic acid |
| Molecular Weight: | 442.5 |
| Molecular Formula: | C20 H22 N6 O4 S |
| Smiles: | CC(C)c1c(C(O)=O)nc(NC(CCC(Nc2ccc(Cn3cncn3)cc2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.0048 |
| logD: | -1.522 |
| logSw: | -2.0388 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.467 |
| InChI Key: | KUNBNUKVIMNGIR-UHFFFAOYSA-N |