(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
Formula:C29H24N5OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one |
| MolecularFormula | C29H24N5OClS |
| Smiles | O=C1N=C(N(CC2)CCN2c2ccccc2)S/C1=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C29H24ClN5OS/c30-23-13-11-21(12-14-23)27-22(20-35(32-27)25-9-5-2-6-10-25)19-26-28(36)31-29(37-26)34-17-15-33(16-18-34)24-7-3-1-4-8-24/h1-14,19-20H,15-18H2 |
| InChIK | DQZCMOONDPDNJU-UHFFFAOYSA-N |
| TotalMolweight | 526.063 |
| Molweight | 526.063 |
| MonoisotopicMass | 525.139007 |
| CLogP | 4.7146 |
| CLogS | -6.506 |
| H Acceptors | 6 |
| TotalSurfaceArea | 387.48 |
| Relative PSA | 0.17286 |
| PolarSurfaceArea | 79.03 |
| Druglikeness | 7.9305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one | 2 - (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
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