2-(1,3-benzothiazol-2-yl)-4-[(dimethylamino)methylidene]-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[(dimethylamino)methylidene]-5-propyl-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[(dimethylamino)methylidene]-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3046-8105 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[(dimethylamino)methylidene]-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 314.41 |
| Molecular Formula: | C16 H18 N4 O S |
| Smiles: | CCCC1\C(=C/N(C)C)C(N(c2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9141 |
| logD: | 2.8858 |
| logSw: | -3.172 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.622 |
| InChI Key: | FNRWHPSTRSFCCL-UHFFFAOYSA-N |