2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C23H19N3O4Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C23H19N3O4Br2 |
| Smiles | O=C(CNc(cc1)cc2c1OCO2)N/N=C\c(cc1)cc(Br)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C23H19Br2N3O4/c24-17-4-1-15(2-5-17)13-30-20-7-3-16(9-19(20)25)11-27-28-23(29)12-26-18-6-8-21-22(10-18)32-14-31-21/h1-11,26H,12-14H2,(H,28,29) |
| InChIK | IVTHGCJQWJJFNX-UHFFFAOYSA-N |
| TotalMolweight | 561.229 |
| Molweight | 561.229 |
| MonoisotopicMass | 558.974229 |
| CLogP | 5.4034 |
| CLogS | -7.263 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 353.25 |
| Relative PSA | 0.21931 |
| PolarSurfaceArea | 81.18 |
| Druglikeness | 2.8255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
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