3-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxopropanenitrile
Chemical Structure Depiction of
3-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxopropanenitrile
3-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxopropanenitrile
Compound characteristics
| Compound ID: | V025-6839 |
| Compound Name: | 3-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxopropanenitrile |
| Molecular Weight: | 530.69 |
| Molecular Formula: | C30 H34 N4 O3 S |
| Smiles: | Cc1ccc(cc1)N1C(=CSC/1=C(\C#N)C(N1CCN(CC1)C(CC(C)(C)C)=O)=O)c1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.4375 |
| logD: | 5.4374 |
| logSw: | -5.4304 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.436 |
| InChI Key: | LFEGEOXDHKJIEY-UHFFFAOYSA-N |