2-[3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxo-3-(4-propanoylpiperazin-1-yl)propanenitrile
Chemical Structure Depiction of
2-[3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxo-3-(4-propanoylpiperazin-1-yl)propanenitrile
2-[3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxo-3-(4-propanoylpiperazin-1-yl)propanenitrile
Compound characteristics
| Compound ID: | V013-9532 |
| Compound Name: | 2-[3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxo-3-(4-propanoylpiperazin-1-yl)propanenitrile |
| Molecular Weight: | 496.99 |
| Molecular Formula: | C25 H22 Cl F N4 O2 S |
| Smiles: | CCC(N1CCN(CC1)C(C(/C#N)=C1/N(C(=CS1)c1ccc(cc1)F)c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3563 |
| logD: | 4.3563 |
| logSw: | -4.4967 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.892 |
| InChI Key: | LXMHGQDQYCCBSU-UHFFFAOYSA-N |