2-[3-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(3-methylbutanoyl)piperazin-1-yl]-3-oxopropanenitrile
Chemical Structure Depiction of
2-[3-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(3-methylbutanoyl)piperazin-1-yl]-3-oxopropanenitrile
2-[3-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(3-methylbutanoyl)piperazin-1-yl]-3-oxopropanenitrile
Compound characteristics
| Compound ID: | V024-9418 |
| Compound Name: | 2-[3-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(3-methylbutanoyl)piperazin-1-yl]-3-oxopropanenitrile |
| Molecular Weight: | 504.63 |
| Molecular Formula: | C28 H29 F N4 O2 S |
| Smiles: | CC(C)CC(N1CCN(CC1)C(C(/C#N)=C1/N(C(=CS1)c1ccc(C)cc1)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8893 |
| logD: | 4.8893 |
| logSw: | -4.5463 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.892 |
| InChI Key: | OZKOLWGSLROGMS-COOPMVRXSA-N |