MolName : [4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate |
MolecularFormula : C27H24N4O6 |
Smiles : O=C(C(N/N=C\c(cc1)ccc1OC(c1ccccc1)=O)=O)Nc(cccc1)c1C(N1CCOCC1)=O |
InChI : InChI=1S/C27H24N4O6/c32-24(29-23-9-5-4-8-22(23)26(34)31-14-16-36-17-15-31)25(33)30-28-18-19-10-12-21(13-11-19)37-27(35)20-6-2-1-3-7-20/h1-13,18H,14-17H2,(H,29,32)(H,30,33) |
InChIK : RWMFPVCZOLSLPF-UHFFFAOYSA-N |
TotalMolweight : 500.51 |
Molweight : 500.51 |
MonoisotopicMass : 500.169586 |
CLogP : 3.2487 |
CLogS : -4.705 |
H Acceptors : 10 |
H Donors : 2 |
TotalSurfaceArea : 383.3 |
Relative PSA : 0.28735 |
PolarSurfaceArea : 126.4 |
Druglikeness : 4.8291 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
Shape Index : 0.62162 |
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 : 6 |
Symmetricatoms : 6 |
Amides : 2 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |