N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
Formula:C26H24N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide |
| MolecularFormula | C26H24N4O3S |
| Smiles | O=C(c1ccc(COc2cccc3cccnc23)cc1)N/N=C\c1ccc(N2CCOCC2)s1 |
| InChI | InChI=1S/C26H24N4O3S/c31-26(29-28-17-22-10-11-24(34-22)30-13-15-32-16-14-30)21-8-6-19(7-9-21)18-33-23-5-1-3-20-4-2-12-27-25(20)23/h1-12,17H,13-16,18H2,(H,29,31) |
| InChIK | USUMDFDUJZPDBE-UHFFFAOYSA-N |
| TotalMolweight | 472.568 |
| Molweight | 472.568 |
| MonoisotopicMass | 472.156911 |
| CLogP | 4.5909 |
| CLogS | -6.031 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 361.65 |
| Relative PSA | 0.25132 |
| PolarSurfaceArea | 104.29 |
| Druglikeness | 6.2904 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide | 2 - N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off