N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-nitrobenzamide
Molecular Formula : C20H19N4O6Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-nitrobenzamide is a drug-like molecule.
MolName : N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-nitrobenzamide |
MolecularFormula : C20H19N4O6Br |
Smiles : [O-][N+](c(cc1)ccc1C(N/N=C\c(cc1)cc(Br)c1OCC(N1CCOCC1)=O)=O)=O |
InChI : InChI=1S/C20H19BrN4O6/c21-17-11-14(1-6-18(17)31-13-19(26)24-7-9-30-10-8-24)12-22-23-20(27)15-2-4-16(5-3-15)25(28)29/h1-6,11-12H,7-10,13H2,(H,23,27) |
InChIK : CQPKUCJBPUNQQH-UHFFFAOYSA-N |
TotalMolweight : 491.297 |
Molweight : 491.297 |
MonoisotopicMass : 490.048797 |
CLogP : 2.2544 |
CLogS : -4.505 |
H Acceptors : 10 |
H Donors : 1 |
TotalSurfaceArea : 332.64 |
Relative PSA : 0.3097 |
PolarSurfaceArea : 126.05 |
Druglikeness : -0.82999 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.67742 |
Fragments : 1 |
Non HAtoms : 31 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
Rotatable Bond : 7 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 8 |
Symmetricatoms : 4 |
Amides : 1 |
AcidicOxygens : 1 |
StereoCon : |
1 - N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-nitrobenzamide
2 - N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-nitrobenzamide
| spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |