MolName : N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide |
MolecularFormula : C27H26N4O5 |
Smiles : O=C(C(N/N=C\c(cc1)ccc1OCc1ccccc1)=O)Nc(cccc1)c1C(N1CCOCC1)=O |
InChI : InChI=1S/C27H26N4O5/c32-25(29-24-9-5-4-8-23(24)27(34)31-14-16-35-17-15-31)26(33)30-28-18-20-10-12-22(13-11-20)36-19-21-6-2-1-3-7-21/h1-13,18H,14-17,19H2,(H,29,32)(H,30,33) |
InChIK : PIPFALHLDJAFIQ-UHFFFAOYSA-N |
TotalMolweight : 486.526 |
Molweight : 486.526 |
MonoisotopicMass : 486.190321 |
CLogP : 3.1663 |
CLogS : -4.576 |
H Acceptors : 9 |
H Donors : 2 |
TotalSurfaceArea : 379.31 |
Relative PSA : 0.25599 |
PolarSurfaceArea : 109.33 |
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 : 0.63889 |
Fragments : 1 |
Non HAtoms : 36 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 8 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 7 |
Symmetricatoms : 6 |
Amides : 2 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |