MolName : N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide |
MolecularFormula : C20H18N4O4Cl2 |
Smiles : O=C(C(N/N=C\c(ccc(Cl)c1)c1Cl)=O)Nc(cccc1)c1C(N1CCOCC1)=O |
InChI : InChI=1S/C20H18Cl2N4O4/c21-14-6-5-13(16(22)11-14)12-23-25-19(28)18(27)24-17-4-2-1-3-15(17)20(29)26-7-9-30-10-8-26/h1-6,11-12H,7-10H2,(H,24,27)(H,25,28) |
InChIK : IDGLQGNZWYSELP-UHFFFAOYSA-N |
TotalMolweight : 449.293 |
Molweight : 449.293 |
MonoisotopicMass : 448.07051 |
CLogP : 3.0302 |
CLogS : -4.707 |
H Acceptors : 8 |
H Donors : 2 |
TotalSurfaceArea : 326.63 |
Relative PSA : 0.26666 |
PolarSurfaceArea : 100.1 |
Druglikeness : 5.0313 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
Shape Index : 0.6 |
Fragments : 1 |
Non HAtoms : 30 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
Amides : 2 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |