3-[4-(methoxyacetyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxopropanenitrile
Chemical Structure Depiction of
3-[4-(methoxyacetyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxopropanenitrile
3-[4-(methoxyacetyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxopropanenitrile
Compound characteristics
| Compound ID: | V025-6868 |
| Compound Name: | 3-[4-(methoxyacetyl)piperazin-1-yl]-2-[4-(3-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxopropanenitrile |
| Molecular Weight: | 504.61 |
| Molecular Formula: | C27 H28 N4 O4 S |
| Smiles: | Cc1ccc(cc1)N1C(=CSC/1=C(\C#N)C(N1CCN(CC1)C(COC)=O)=O)c1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1261 |
| logD: | 3.126 |
| logSw: | -3.2139 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.859 |
| InChI Key: | HIWRTPTUBJYCKT-UHFFFAOYSA-N |