4-bromo-N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide
Formula:C25H19N4O2Br3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
4-bromo-N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide is not a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide |
| MolecularFormula | C25H19N4O2Br3 |
| Smiles | O=C(c1nn(Cc(cc2)ccc2Br)cc1Br)N/N=C\c(cccc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C25H19Br3N4O2/c26-20-9-5-17(6-10-20)14-32-15-22(28)24(31-32)25(33)30-29-13-19-3-1-2-4-23(19)34-16-18-7-11-21(27)12-8-18/h1-13,15H,14,16H2,(H,30,33) |
| InChIK | FBSZSZITGJNQPU-UHFFFAOYSA-N |
| TotalMolweight | 647.164 |
| Molweight | 647.164 |
| MonoisotopicMass | 643.905809 |
| CLogP | 6.1991 |
| CLogS | -7.145 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 387.88 |
| Relative PSA | 0.16461 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 1.5551 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-bromo-N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide | 2 - 4-bromo-N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide
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