2-[3,4-bis(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-oxopropanenitrile
Chemical Structure Depiction of
2-[3,4-bis(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-oxopropanenitrile
2-[3,4-bis(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-oxopropanenitrile
Compound characteristics
| Compound ID: | V013-5815 |
| Compound Name: | 2-[3,4-bis(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-oxopropanenitrile |
| Molecular Weight: | 498.65 |
| Molecular Formula: | C29 H30 N4 O2 S |
| Smiles: | Cc1ccc(cc1)C1=CSC(=C(\C#N)C(N2CCN(CC2)C(C2CCC2)=O)=O)\N1c1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6377 |
| logD: | 4.6377 |
| logSw: | -4.2822 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.671 |
| InChI Key: | GFJBZSUFRGWADB-UHFFFAOYSA-N |