2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[4-(dimethylamino)phenyl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[4-(dimethylamino)phenyl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[4-(dimethylamino)phenyl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3410-1139 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[4-(dimethylamino)phenyl]methylidene}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 505.06 |
| Molecular Formula: | C26 H21 Cl N4 O S2 |
| Smiles: | CN(C)c1ccc(\C=C2/C(CSc3ccc(cc3)[Cl])=NN(C2=O)c2nc3ccccc3s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.9941 |
| logD: | 6.994 |
| logSw: | -6.5282 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.386 |
| InChI Key: | WYYPOXKTIJFXQW-UHFFFAOYSA-N |