1-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-(3,4-dichlorophenyl)urea
Formula:C24H24N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-(3,4-dichlorophenyl)urea is a drug-like molecule.
| MolName | 1-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-(3,4-dichlorophenyl)urea |
| MolecularFormula | C24H24N4O2Cl2 |
| Smiles | O=C(Nc(cc1)cc(Cl)c1Cl)N/N=C\C(CC/C1=C/c2ccccc2)=C1N1CCOCC1 |
| InChI | InChI=1S/C24H24Cl2N4O2/c25-21-9-8-20(15-22(21)26)28-24(31)29-27-16-19-7-6-18(14-17-4-2-1-3-5-17)23(19)30-10-12-32-13-11-30/h1-5,8-9,14-16H,6-7,10-13H2,(H2,28,29,31) |
| InChIK | LMIDQZHRGVBXAJ-UHFFFAOYSA-N |
| TotalMolweight | 471.387 |
| Molweight | 471.387 |
| MonoisotopicMass | 470.12763 |
| CLogP | 4.987 |
| CLogS | -6.275 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 352.78 |
| Relative PSA | 0.17297 |
| PolarSurfaceArea | 65.96 |
| Druglikeness | 4.395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 1-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-(3,4-dichlorophenyl)urea | 2 - 1-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-(3,4-dichlorophenyl)urea
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