3-(4-butanoylpiperazin-1-yl)-2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxopropanenitrile
Chemical Structure Depiction of
3-(4-butanoylpiperazin-1-yl)-2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxopropanenitrile
3-(4-butanoylpiperazin-1-yl)-2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxopropanenitrile
Compound characteristics
| Compound ID: | V017-4028 |
| Compound Name: | 3-(4-butanoylpiperazin-1-yl)-2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxopropanenitrile |
| Molecular Weight: | 502.64 |
| Molecular Formula: | C28 H30 N4 O3 S |
| Smiles: | CCCC(N1CCN(CC1)C(C(/C#N)=C1/N(C(=CS1)c1ccc(C)cc1)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5931 |
| logD: | 4.5931 |
| logSw: | -4.2635 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.436 |
| InChI Key: | VDINSMQNNWIRRO-COOPMVRXSA-N |