[1-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetic acid
Chemical Structure Depiction of
[1-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetic acid
[1-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetic acid
Compound characteristics
| Compound ID: | 8014-2855 |
| Compound Name: | [1-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetic acid |
| Molecular Weight: | 317.32 |
| Molecular Formula: | C14 H11 N3 O4 S |
| Smiles: | C/C(=C1\C(CC(O)=O)=NN(C1=O)c1nc2ccccc2s1)O |
| Stereo: | ACHIRAL |
| logP: | 1.4303 |
| logD: | -1.3851 |
| logSw: | -2.0157 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.385 |
| InChI Key: | YJHHUMAQRIUURV-UHFFFAOYSA-N |