2-(1,3-benzothiazol-2-yl)-4-[N-(4-chlorophenyl)ethanimidoyl]-5-{[(4-chlorophenyl)sulfanyl]methyl}-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[N-(4-chlorophenyl)ethanimidoyl]-5-{[(4-chlorophenyl)sulfanyl]methyl}-1,2-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[N-(4-chlorophenyl)ethanimidoyl]-5-{[(4-chlorophenyl)sulfanyl]methyl}-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8012-3296 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[N-(4-chlorophenyl)ethanimidoyl]-5-{[(4-chlorophenyl)sulfanyl]methyl}-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 525.48 |
| Molecular Formula: | C25 H18 Cl2 N4 O S2 |
| Smiles: | C\C(C1=C(CSc2ccc(cc2)[Cl])NN(C1=O)c1nc2ccccc2s1)=N/c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.1097 |
| logD: | 5.0213 |
| logSw: | -6.3134 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.217 |
| InChI Key: | CIHOKWFEZAISQO-UHFFFAOYSA-N |