2-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8010-5912 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 335.38 |
| Molecular Formula: | C18 H13 N3 O2 S |
| Smiles: | C/C(=C1\C(c2ccccc2)=NN(C1=O)c1nc2ccccc2s1)O |
| Stereo: | ACHIRAL |
| logP: | 3.528 |
| logD: | 3.5013 |
| logSw: | -3.6239 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.826 |
| InChI Key: | WYCWAKWVTHRFBE-UHFFFAOYSA-N |