methyl [1-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Chemical Structure Depiction of
methyl [1-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
methyl [1-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Compound characteristics
| Compound ID: | 8013-2930 |
| Compound Name: | methyl [1-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate |
| Molecular Weight: | 331.35 |
| Molecular Formula: | C15 H13 N3 O4 S |
| Smiles: | C/C(=C1\C(CC(=O)OC)=NN(C1=O)c1nc2ccccc2s1)O |
| Stereo: | ACHIRAL |
| logP: | 1.8908 |
| logD: | 1.89 |
| logSw: | -2.2143 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.58 |
| InChI Key: | OFLZLCRJSQJABV-UHFFFAOYSA-N |