2-(1,3-benzothiazol-2-yl)-4-{[(3-hydroxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-{[(3-hydroxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-{[(3-hydroxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y500-1042 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-{[(3-hydroxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C17 H20 N4 O2 S |
| Smiles: | CCCC1\C(=C/NCCCO)C(N(c2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1738 |
| logD: | 2.1404 |
| logSw: | -2.5161 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.753 |
| InChI Key: | NDHGTWHEWKSNEW-UHFFFAOYSA-N |