MolName : N'-[(Z)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide |
MolecularFormula : C27H25N4O5Br |
Smiles : O=C(C(N/N=C\c(cc(cc1)OCc2ccccc2)c1Br)=O)Nc(cccc1)c1C(N1CCOCC1)=O |
InChI : InChI=1S/C27H25BrN4O5/c28-23-11-10-21(37-18-19-6-2-1-3-7-19)16-20(23)17-29-31-26(34)25(33)30-24-9-5-4-8-22(24)27(35)32-12-14-36-15-13-32/h1-11,16-17H,12-15,18H2,(H,30,33)(H,31,34) |
InChIK : HCYFLTAXOWQHKA-UHFFFAOYSA-N |
TotalMolweight : 565.423 |
Molweight : 565.423 |
MonoisotopicMass : 564.100832 |
CLogP : 3.8915 |
CLogS : -5.41 |
H Acceptors : 9 |
H Donors : 2 |
TotalSurfaceArea : 397.94 |
Relative PSA : 0.24401 |
PolarSurfaceArea : 109.33 |
Druglikeness : 3.2159 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
Shape Index : 0.59459 |
Fragments : 1 |
Non HAtoms : 37 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 8 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 7 |
Symmetricatoms : 4 |
Amides : 2 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |