2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y010-1556 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-{[(3-methoxypropyl)amino]methylidene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | COCCCN/C=C1/C(c2ccccc2)=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.2998 |
| logD: | 3.2939 |
| logSw: | -3.5068 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.265 |
| InChI Key: | OKDNVFKVGHXGBT-UHFFFAOYSA-N |