2-[3-(3-chlorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-oxopropanenitrile
Chemical Structure Depiction of
2-[3-(3-chlorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-oxopropanenitrile
2-[3-(3-chlorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-oxopropanenitrile
Compound characteristics
| Compound ID: | V025-6830 |
| Compound Name: | 2-[3-(3-chlorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-oxopropanenitrile |
| Molecular Weight: | 535.11 |
| Molecular Formula: | C29 H31 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1)C1=CSC(=C(\C#N)C(N2CCN(CC2)C(CC(C)(C)C)=O)=O)\N1c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.0154 |
| logD: | 6.0154 |
| logSw: | -6.1474 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.892 |
| InChI Key: | HOFPYHMGMDPWLR-UHFFFAOYSA-N |