2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(propylamino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(propylamino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(propylamino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3410-1660 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-propyl-4-[1-(propylamino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 342.46 |
| Molecular Formula: | C18 H22 N4 O S |
| Smiles: | CCCC1/C(=C(/C)NCCC)C(N(c2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3041 |
| logD: | 3.9815 |
| logSw: | -4.189 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.509 |
| InChI Key: | XIUNRFHFXKLIPX-UHFFFAOYSA-N |