N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-nitrobenzamide
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 |
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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
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