N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide
Formula:C25H20N4O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide |
| MolecularFormula | C25H20N4O2Br2 |
| Smiles | O=C(c1nn(Cc(cc2)ccc2Br)cc1)N/N=C\c(cccc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C25H20Br2N4O2/c26-21-9-5-18(6-10-21)16-31-14-13-23(30-31)25(32)29-28-15-20-3-1-2-4-24(20)33-17-19-7-11-22(27)12-8-19/h1-15H,16-17H2,(H,29,32) |
| InChIK | QBNXQSPCCBYFIQ-UHFFFAOYSA-N |
| TotalMolweight | 568.268 |
| Molweight | 568.268 |
| MonoisotopicMass | 565.995298 |
| CLogP | 5.4739 |
| CLogS | -6.311 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 369.25 |
| Relative PSA | 0.17292 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 5.0719 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 - N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide | 2 - N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide
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