2-[3,4-bis(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxo-3-(4-propanoylpiperazin-1-yl)propanenitrile
Chemical Structure Depiction of
2-[3,4-bis(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxo-3-(4-propanoylpiperazin-1-yl)propanenitrile
2-[3,4-bis(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxo-3-(4-propanoylpiperazin-1-yl)propanenitrile
Compound characteristics
| Compound ID: | V026-6190 |
| Compound Name: | 2-[3,4-bis(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxo-3-(4-propanoylpiperazin-1-yl)propanenitrile |
| Molecular Weight: | 472.61 |
| Molecular Formula: | C27 H28 N4 O2 S |
| Smiles: | CCC(N1CCN(CC1)C(C(/C#N)=C1/N(C(=CS1)c1ccc(C)cc1)c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5345 |
| logD: | 4.5345 |
| logSw: | -4.1014 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.892 |
| InChI Key: | PFSLYVHKJJZZRT-VYIQYICTSA-N |