2-(1,3-benzothiazol-2-yl)-5-propyl-4-[(propylimino)methyl]-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-propyl-4-[(propylimino)methyl]-1,2-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-propyl-4-[(propylimino)methyl]-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3410-1659 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-propyl-4-[(propylimino)methyl]-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 328.43 |
| Molecular Formula: | C17 H20 N4 O S |
| Smiles: | CCCC1=C(/C=N/CCC)C(N(c2nc3ccccc3s2)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.196 |
| logD: | 2.7957 |
| logSw: | -4.0282 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.807 |
| InChI Key: | OXAVFNXLAFGGGF-UHFFFAOYSA-N |