(5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
Formula:C31H27N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one |
| MolecularFormula | C31H27N4O2ClS |
| Smiles | O=C1N=C(N2CCCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C31H27ClN4O2S/c32-25-13-9-22(10-14-25)21-38-27-15-11-23(12-16-27)29-24(20-36(34-29)26-7-3-1-4-8-26)19-28-30(37)33-31(39-28)35-17-5-2-6-18-35/h1,3-4,7-16,19-20H,2,5-6,17-18,21H2 |
| InChIK | XUDDKWRCWGPFMI-UHFFFAOYSA-N |
| TotalMolweight | 555.1 |
| Molweight | 555.1 |
| MonoisotopicMass | 554.154323 |
| CLogP | 5.6221 |
| CLogS | -7.389 |
| H Acceptors | 6 |
| TotalSurfaceArea | 414.7 |
| Relative PSA | 0.17707 |
| PolarSurfaceArea | 85.02 |
| Druglikeness | 4.0814 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one | 2 - (5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
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