1-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxamide
Formula:C32H29N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxamide is not a drug-like molecule.
| MolName | 1-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxamide |
| MolecularFormula | C32H29N5O3S |
| Smiles | NC(C(CC1)CCN1C(S/C1=C\c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc2ccccc2)=NC1=O)=O |
| InChI | InChI=1S/C32H29N5O3S/c33-30(38)24-15-17-36(18-16-24)32-34-31(39)28(41-32)19-25-20-37(26-9-5-2-6-10-26)35-29(25)23-11-13-27(14-12-23)40-21-22-7-3-1-4-8-22/h1-14,19-20,24H,15-18,21H2,(H2,33,38) |
| InChIK | RJHVLEZOIOXSRD-UHFFFAOYSA-N |
| TotalMolweight | 563.68 |
| Molweight | 563.68 |
| MonoisotopicMass | 563.19911 |
| CLogP | 3.6113 |
| CLogS | -6.364 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 424.29 |
| Relative PSA | 0.23979 |
| PolarSurfaceArea | 128.11 |
| Druglikeness | 8.6985 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53659 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxamide | 2 - 1-[(5Z)-4-oxo-5-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxamide
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