2-[3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(3-methylbutanoyl)piperazin-1-yl]-3-oxopropanenitrile
Chemical Structure Depiction of
2-[3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(3-methylbutanoyl)piperazin-1-yl]-3-oxopropanenitrile
2-[3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(3-methylbutanoyl)piperazin-1-yl]-3-oxopropanenitrile
Compound characteristics
| Compound ID: | V029-9207 |
| Compound Name: | 2-[3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-ylidene]-3-[4-(3-methylbutanoyl)piperazin-1-yl]-3-oxopropanenitrile |
| Molecular Weight: | 525.04 |
| Molecular Formula: | C27 H26 Cl F N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(N1CCN(CC1)C(C(/C#N)=C1/N(C(=CS1)c1ccc(cc1)F)c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1054 |
| logD: | 5.1054 |
| logSw: | -5.501 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.892 |
| InChI Key: | XXAZTNFKBAAGBL-UHFFFAOYSA-N |