| MolName | 1,3-bis[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]urea |
| MolecularFormula | C19H24N6O3S2 |
| Smiles | O=C(N/N=C\c1ccc(N2CCOCC2)s1)N/N=C\c1ccc(N2CCOCC2)s1 |
| InChI | InChI=1S/C19H24N6O3S2/c26-19(22-20-13-15-1-3-17(29-15)24-5-9-27-10-6-24)23-21-14-16-2-4-18(30-16)25-7-11-28-12-8-25/h1-4,13-14H,5-12H2,(H2,22,23,26) |
| InChIK | YFQHWBUDXNXJCE-UHFFFAOYSA-N |
| TotalMolweight | 448.571 |
| Molweight | 448.571 |
| MonoisotopicMass | 448.135129 |
| CLogP | 3.0404 |
| CLogS | -5.356 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 338.77 |
| Relative PSA | 0.3743 |
| PolarSurfaceArea | 147.27 |
| Druglikeness | 5.5467 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 10 |
| Symmetricatoms | 16 |
| StereoCon |
Click to Load Molecule:
1 - 1,3-bis[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]urea | 2 - 1,3-bis[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]urea