naphthalen-2-yl N-[(Z)-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]carbamate
Formula:C28H26N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
naphthalen-2-yl N-[(Z)-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]carbamate is not a drug-like molecule.
| MolName | naphthalen-2-yl N-[(Z)-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]carbamate |
| MolecularFormula | C28H26N3O3Cl |
| Smiles | O=C(N/N=C\C(CC/C1=C\c(cc2)ccc2Cl)=C1N1CCOCC1)Oc1cc2ccccc2cc1 |
| InChI | InChI=1S/C28H26ClN3O3/c29-25-10-5-20(6-11-25)17-23-7-8-24(27(23)32-13-15-34-16-14-32)19-30-31-28(33)35-26-12-9-21-3-1-2-4-22(21)18-26/h1-6,9-12,17-19H,7-8,13-16H2,(H,31,33) |
| InChIK | HYPLOMFIBVMZRQ-UHFFFAOYSA-N |
| TotalMolweight | 487.985 |
| Molweight | 487.985 |
| MonoisotopicMass | 487.166269 |
| CLogP | 5.8584 |
| CLogS | -7.103 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 370.5 |
| Relative PSA | 0.16076 |
| PolarSurfaceArea | 63.16 |
| Druglikeness | 0.48711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - naphthalen-2-yl N-[(Z)-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]carbamate | 2 - naphthalen-2-yl N-[(Z)-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]carbamate
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