1-cyclohexyl-3-[(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]urea
Formula:C22H27N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-cyclohexyl-3-[(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]urea is a drug-like molecule.
| MolName | 1-cyclohexyl-3-[(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]urea |
| MolecularFormula | C22H27N3O3 |
| Smiles | O=C(NC1CCCCC1)N/N=C\c(cc1)ccc1OCCOc1ccccc1 |
| InChI | InChI=1S/C22H27N3O3/c26-22(24-19-7-3-1-4-8-19)25-23-17-18-11-13-21(14-12-18)28-16-15-27-20-9-5-2-6-10-20/h2,5-6,9-14,17,19H,1,3-4,7-8,15-16H2,(H2,24,25,26) |
| InChIK | HFKYPGHYQUXDTH-UHFFFAOYSA-N |
| TotalMolweight | 381.474 |
| Molweight | 381.474 |
| MonoisotopicMass | 381.205242 |
| CLogP | 4.3975 |
| CLogS | -5.572 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 313.77 |
| Relative PSA | 0.21503 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | -7.1341 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - 1-cyclohexyl-3-[(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]urea | 2 - 1-cyclohexyl-3-[(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]urea
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