N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
Formula:C29H23N4O4Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide is not a drug-like molecule.
| MolName | N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide |
| MolecularFormula | C29H23N4O4Br |
| Smiles | O=C(C(N/N=C\c(cccc1)c1OCc1ccccc1)=O)Nc(cccc1)c1C(Nc(cc1)ccc1Br)=O |
| InChI | InChI=1S/C29H23BrN4O4/c30-22-14-16-23(17-15-22)32-27(35)24-11-5-6-12-25(24)33-28(36)29(37)34-31-18-21-10-4-7-13-26(21)38-19-20-8-2-1-3-9-20/h1-18H,19H2,(H,32,35)(H,33,36)(H,34,37) |
| InChIK | NCRQUMSBNPSLPL-UHFFFAOYSA-N |
| TotalMolweight | 571.43 |
| Molweight | 571.43 |
| MonoisotopicMass | 570.090267 |
| CLogP | 5.3647 |
| CLogS | -7.212 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 407.32 |
| Relative PSA | 0.23326 |
| PolarSurfaceArea | 108.89 |
| Druglikeness | 1.5936 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.60526 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide | 2 - N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
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