2-(1,3-benzothiazol-2-yl)-4-(1-{[(3,4-dichlorophenyl)methyl]amino}ethylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-(1-{[(3,4-dichlorophenyl)methyl]amino}ethylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-(1-{[(3,4-dichlorophenyl)methyl]amino}ethylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3533-0048 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-(1-{[(3,4-dichlorophenyl)methyl]amino}ethylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 553.53 |
| Molecular Formula: | C27 H22 Cl2 N4 O S2 |
| Smiles: | C/C(=C1\C(CSc2ccc(C)cc2)=NN(C1=O)c1nc2ccccc2s1)NCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.5887 |
| logD: | 7.5728 |
| logSw: | -6.3618 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.125 |
| InChI Key: | JPDZYMDHEDXBLI-UHFFFAOYSA-N |