2-[3-(3-chlorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(3-methylbutanoyl)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-methylbutanoyl)piperazin-1-yl]-3-oxopropanenitrile
2-[3-(3-chlorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(3-methylbutanoyl)piperazin-1-yl]-3-oxopropanenitrile
Compound characteristics
| Compound ID: | V025-6840 |
| Compound Name: | 2-[3-(3-chlorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(3-methylbutanoyl)piperazin-1-yl]-3-oxopropanenitrile |
| Molecular Weight: | 521.08 |
| Molecular Formula: | C28 H29 Cl N4 O2 S |
| Smiles: | CC(C)CC(N1CCN(CC1)C(C(/C#N)=C1/N(C(=CS1)c1ccc(C)cc1)c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4997 |
| logD: | 5.4997 |
| logSw: | -5.944 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.892 |
| InChI Key: | LWOPLAUVBQWKNI-UHFFFAOYSA-N |