1-cyclohexyl-3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea
Formula:C21H23N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-cyclohexyl-3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea is a drug-like molecule.
| MolName | 1-cyclohexyl-3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea |
| MolecularFormula | C21H23N5OS |
| Smiles | O=C(NC1CCCCC1)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C21H23N5OS/c27-21(23-17-8-3-1-4-9-17)24-22-14-16-15-26(18-10-5-2-6-11-18)25-20(16)19-12-7-13-28-19/h2,5-7,10-15,17H,1,3-4,8-9H2,(H2,23,24,27) |
| InChIK | JJDDCUDFVOWWPO-UHFFFAOYSA-N |
| TotalMolweight | 393.514 |
| Molweight | 393.514 |
| MonoisotopicMass | 393.16233 |
| CLogP | 3.985 |
| CLogS | -5.738 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 309.91 |
| Relative PSA | 0.27644 |
| PolarSurfaceArea | 99.55 |
| Druglikeness | 2.6143 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-cyclohexyl-3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea | 2 - 1-cyclohexyl-3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea
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