4-{[3-benzyl-4-(2,4-dichlorophenyl)-1,3-thiazol-2(3H)-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[3-benzyl-4-(2,4-dichlorophenyl)-1,3-thiazol-2(3H)-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-{[3-benzyl-4-(2,4-dichlorophenyl)-1,3-thiazol-2(3H)-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4052-1322 |
| Compound Name: | 4-{[3-benzyl-4-(2,4-dichlorophenyl)-1,3-thiazol-2(3H)-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 521.47 |
| Molecular Formula: | C27 H22 Cl2 N4 O S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)/N=C1/N(Cc2ccccc2)C(=CS1)c1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.3031 |
| logD: | 6.3031 |
| logSw: | -6.0877 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.684 |
| InChI Key: | HXLDJWMKQUQTMP-UHFFFAOYSA-N |