1-[(5Z)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
Formula:C32H28N5O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(5Z)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide is not a drug-like molecule.
| MolName | 1-[(5Z)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide |
| MolecularFormula | C32H28N5O3ClS |
| Smiles | NC(C(CC1)CCN1C(S/C1=C\c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cccc2)c2Cl)=NC1=O)=O |
| InChI | InChI=1S/C32H28ClN5O3S/c33-27-9-5-4-6-23(27)20-41-26-12-10-21(11-13-26)29-24(19-38(36-29)25-7-2-1-3-8-25)18-28-31(40)35-32(42-28)37-16-14-22(15-17-37)30(34)39/h1-13,18-19,22H,14-17,20H2,(H2,34,39) |
| InChIK | AHCJHFCEKXHNET-UHFFFAOYSA-N |
| TotalMolweight | 598.125 |
| Molweight | 598.125 |
| MonoisotopicMass | 597.160137 |
| CLogP | 4.2173 |
| CLogS | -7.1 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 439.71 |
| Relative PSA | 0.23138 |
| PolarSurfaceArea | 128.11 |
| Druglikeness | 8.7368 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(5Z)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide | 2 - 1-[(5Z)-5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
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