2-(1,3-benzothiazol-2-yl)-4-[N-(4-methylphenyl)ethanimidoyl]-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[N-(4-methylphenyl)ethanimidoyl]-5-propyl-1,2-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[N-(4-methylphenyl)ethanimidoyl]-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8012-2246 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[N-(4-methylphenyl)ethanimidoyl]-5-propyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 390.51 |
| Molecular Formula: | C22 H22 N4 O S |
| Smiles: | CCCC1=C(C(/C)=N/c2ccc(C)cc2)C(N(c2nc3ccccc3s2)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3822 |
| logD: | 3.3122 |
| logSw: | -5.3584 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.488 |
| InChI Key: | JKIUBZHPOINRPD-UHFFFAOYSA-N |