(Z)-N-[(Z)-(3-bromophenyl)methylideneamino]-1-[(3E)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]methanimine
Formula:C24H23N4O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(Z)-(3-bromophenyl)methylideneamino]-1-[(3E)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]methanimine is not a drug-like molecule.
| MolName | (Z)-N-[(Z)-(3-bromophenyl)methylideneamino]-1-[(3E)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]methanimine |
| MolecularFormula | C24H23N4O3Br |
| Smiles | [O-][N+](c1ccc(/C=C(\CC2)/C(N3CCOCC3)=C2/C=N\N=C/c2cccc(Br)c2)cc1)=O |
| InChI | InChI=1S/C24H23BrN4O3/c25-22-3-1-2-19(15-22)16-26-27-17-21-7-6-20(24(21)28-10-12-32-13-11-28)14-18-4-8-23(9-5-18)29(30)31/h1-5,8-9,14-17H,6-7,10-13H2 |
| InChIK | FHMIZEWCLLYDJZ-UHFFFAOYSA-N |
| TotalMolweight | 495.376 |
| Molweight | 495.376 |
| MonoisotopicMass | 494.095352 |
| CLogP | 5.1687 |
| CLogS | -5.992 |
| H Acceptors | 7 |
| TotalSurfaceArea | 348.33 |
| Relative PSA | 0.19232 |
| PolarSurfaceArea | 83.01 |
| Druglikeness | -4.067 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-N-[(Z)-(3-bromophenyl)methylideneamino]-1-[(3E)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]methanimine | 2 - (Z)-N-[(Z)-(3-bromophenyl)methylideneamino]-1-[(3E)-2-morpholin-4-yl-3-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]methanimine
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