MolName : N'-[(Z)-benzylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide |
MolecularFormula : C20H20N4O4 |
Smiles : O=C(C(N/N=C\c1ccccc1)=O)Nc(cccc1)c1C(N1CCOCC1)=O |
InChI : InChI=1S/C20H20N4O4/c25-18(19(26)23-21-14-15-6-2-1-3-7-15)22-17-9-5-4-8-16(17)20(27)24-10-12-28-13-11-24/h1-9,14H,10-13H2,(H,22,25)(H,23,26) |
InChIK : IOFGBYAJSMIOHA-UHFFFAOYSA-N |
TotalMolweight : 380.403 |
Molweight : 380.403 |
MonoisotopicMass : 380.148456 |
CLogP : 1.8182 |
CLogS : -3.235 |
H Acceptors : 8 |
H Donors : 2 |
TotalSurfaceArea : 295.79 |
Relative PSA : 0.29447 |
PolarSurfaceArea : 100.1 |
Druglikeness : 5.0059 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
Shape Index : 0.60714 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 4 |
Amides : 2 |
StereoCon : |