MolName : N'-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide |
MolecularFormula : C31H27N4O5Br |
Smiles : O=C(C(N/N=C\c(c1ccccc1cc1)c1OCc1cccc(Br)c1)=O)Nc(cccc1)c1C(N1CCOCC1)=O |
InChI : InChI=1S/C31H27BrN4O5/c32-23-8-5-6-21(18-23)20-41-28-13-12-22-7-1-2-9-24(22)26(28)19-33-35-30(38)29(37)34-27-11-4-3-10-25(27)31(39)36-14-16-40-17-15-36/h1-13,18-19H,14-17,20H2,(H,34,37)(H,35,38) |
InChIK : ABXADUWXDYTSJU-UHFFFAOYSA-N |
TotalMolweight : 615.482 |
Molweight : 615.482 |
MonoisotopicMass : 614.116482 |
CLogP : 5.0859 |
CLogS : -7.016 |
H Acceptors : 9 |
H Donors : 2 |
TotalSurfaceArea : 432.54 |
Relative PSA : 0.22449 |
PolarSurfaceArea : 109.33 |
Druglikeness : 3.2159 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
Shape Index : 0.5122 |
Fragments : 1 |
Non HAtoms : 41 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 8 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 4 |
Aromatic Atoms : 22 |
Sp3Atoms : 7 |
Symmetricatoms : 2 |
Amides : 2 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |