(5Z)-5-[[3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
Formula:C30H25N4O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one |
| MolecularFormula | C30H25N4O3ClS |
| Smiles | O=C1N=C(N2CCOCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc(cc2)ccc2Cl)c1 |
| InChI | InChI=1S/C30H25ClN4O3S/c31-24-11-9-21(10-12-24)20-38-26-8-4-5-22(17-26)28-23(19-35(33-28)25-6-2-1-3-7-25)18-27-29(36)32-30(39-27)34-13-15-37-16-14-34/h1-12,17-19H,13-16,20H2 |
| InChIK | HEDDHULCFLXZQI-UHFFFAOYSA-N |
| TotalMolweight | 557.073 |
| Molweight | 557.073 |
| MonoisotopicMass | 556.133588 |
| CLogP | 4.4581 |
| CLogS | -6.5 |
| H Acceptors | 7 |
| TotalSurfaceArea | 410.94 |
| Relative PSA | 0.20302 |
| PolarSurfaceArea | 94.25 |
| Druglikeness | 5.1782 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[[3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one | 2 - (5Z)-5-[[3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
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