MolName : N'-[(Z)-(4-chlorophenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide |
MolecularFormula : C20H19N4O4Cl |
Smiles : O=C(C(N/N=C\c(cc1)ccc1Cl)=O)Nc(cccc1)c1C(N1CCOCC1)=O |
InChI : InChI=1S/C20H19ClN4O4/c21-15-7-5-14(6-8-15)13-22-24-19(27)18(26)23-17-4-2-1-3-16(17)20(28)25-9-11-29-12-10-25/h1-8,13H,9-12H2,(H,23,26)(H,24,27) |
InChIK : UPYAQQKWFVFUEP-UHFFFAOYSA-N |
TotalMolweight : 414.848 |
Molweight : 414.848 |
MonoisotopicMass : 414.109483 |
CLogP : 2.4242 |
CLogS : -3.971 |
H Acceptors : 8 |
H Donors : 2 |
TotalSurfaceArea : 311.21 |
Relative PSA : 0.27988 |
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 : 0.62069 |
Fragments : 1 |
Non HAtoms : 29 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 4 |
Amides : 2 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |