3-(4-{5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}piperazin-1-yl)propanenitrile
Chemical Structure Depiction of
3-(4-{5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}piperazin-1-yl)propanenitrile
3-(4-{5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}piperazin-1-yl)propanenitrile
Compound characteristics
| Compound ID: | 8012-3484 |
| Compound Name: | 3-(4-{5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}piperazin-1-yl)propanenitrile |
| Molecular Weight: | 360.86 |
| Molecular Formula: | C17 H17 Cl N4 O S |
| Smiles: | C(CN1CCN(CC1)C1=NC(/C(=C\c2ccc(cc2)[Cl])S1)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 2.2672 |
| logD: | 2.2635 |
| logSw: | -3.1352 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.877 |
| InChI Key: | RZJQWLAJGQIBJC-UHFFFAOYSA-N |