N-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]furan-2-carboxamide
Formula:C22H23N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C22H23N3O3 |
| Smiles | O=C(c1ccco1)N/N=C\C(CC/C1=C/c2ccccc2)=C1N1CCOCC1 |
| InChI | InChI=1S/C22H23N3O3/c26-22(20-7-4-12-28-20)24-23-16-19-9-8-18(15-17-5-2-1-3-6-17)21(19)25-10-13-27-14-11-25/h1-7,12,15-16H,8-11,13-14H2,(H,24,26) |
| InChIK | JYGQRQQGOFAEQI-UHFFFAOYSA-N |
| TotalMolweight | 377.443 |
| Molweight | 377.443 |
| MonoisotopicMass | 377.173942 |
| CLogP | 2.9698 |
| CLogS | -3.969 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 300.17 |
| Relative PSA | 0.21211 |
| PolarSurfaceArea | 67.07 |
| Druglikeness | 4.5536 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]furan-2-carboxamide | 2 - N-[(Z)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]furan-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off