3-{[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-{[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
3-{[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6293 |
| Compound Name: | 3-{[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 413.27 |
| Molecular Formula: | C13 H9 Br N4 O3 S2 |
| Smiles: | Cn1cc(C(O)=O)c(C(Nc2nc(cs2)c2ccc(s2)[Br])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3899 |
| logD: | -0.7989 |
| logSw: | -3.7165 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.886 |
| InChI Key: | DBWUBCSAJQTIBG-UHFFFAOYSA-N |