2-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8014-2293 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 273.31 |
| Molecular Formula: | C13 H11 N3 O2 S |
| Smiles: | C/C(=C1\C(C)=NN(C1=O)c1nc2ccccc2s1)O |
| Stereo: | ACHIRAL |
| logP: | 2.4176 |
| logD: | 2.4015 |
| logSw: | -2.4051 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.27 |
| InChI Key: | IBDVNNAPRVBIRI-UHFFFAOYSA-N |