1-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-(4-chlorophenyl)urea
Formula:C24H25N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-(4-chlorophenyl)urea is a drug-like molecule.
| MolName | 1-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-(4-chlorophenyl)urea |
| MolecularFormula | C24H25N4O2Cl |
| Smiles | O=C(Nc(cc1)ccc1Cl)N/N=C\C(CC/C1=C/c2ccccc2)=C1N1CCOCC1 |
| InChI | InChI=1S/C24H25ClN4O2/c25-21-8-10-22(11-9-21)27-24(30)28-26-17-20-7-6-19(16-18-4-2-1-3-5-18)23(20)29-12-14-31-15-13-29/h1-5,8-11,16-17H,6-7,12-15H2,(H2,27,28,30) |
| InChIK | JLMWIWVRZYVAMU-UHFFFAOYSA-N |
| TotalMolweight | 436.942 |
| Molweight | 436.942 |
| MonoisotopicMass | 436.166603 |
| CLogP | 4.381 |
| CLogS | -5.539 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 337.36 |
| Relative PSA | 0.18088 |
| PolarSurfaceArea | 65.96 |
| Druglikeness | 4.395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - 1-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-(4-chlorophenyl)urea | 2 - 1-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-(4-chlorophenyl)urea
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