1-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-cyclohexylurea
Formula:C16H19N3O3F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-cyclohexylurea is a drug-like molecule.
| MolName | 1-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-cyclohexylurea |
| MolecularFormula | C16H19N3O3F4 |
| Smiles | O=C(NC1CCCCC1)N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F |
| InChI | InChI=1S/C16H19F4N3O3/c17-14(18)25-12-7-6-10(13(8-12)26-15(19)20)9-21-23-16(24)22-11-4-2-1-3-5-11/h6-9,11,14-15H,1-5H2,(H2,22,23,24) |
| InChIK | OVXVRHXDUZKRKA-UHFFFAOYSA-N |
| TotalMolweight | 377.337 |
| Molweight | 377.337 |
| MonoisotopicMass | 377.136254 |
| CLogP | 3.3813 |
| CLogS | -5.548 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 276.89 |
| Relative PSA | 0.24367 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | -2.8683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 1-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-cyclohexylurea | 2 - 1-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-cyclohexylurea
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