3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxopropanenitrile
Chemical Structure Depiction of
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxopropanenitrile
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxopropanenitrile
Compound characteristics
| Compound ID: | V005-6450 |
| Compound Name: | 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene]-3-oxopropanenitrile |
| Molecular Weight: | 504.58 |
| Molecular Formula: | C27 H25 F N4 O3 S |
| Smiles: | COc1cccc(c1)C1=CSC(=C(\C#N)C(N2CCN(CC2)C(C2CC2)=O)=O)\N1c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.0068 |
| logD: | 4.0068 |
| logSw: | -4.2999 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.215 |
| InChI Key: | VMSJUKMFOPTIGA-UHFFFAOYSA-N |