N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
Formula:C25H21N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide |
| MolecularFormula | C25H21N4O2Br |
| Smiles | O=C(c1cc(Cn2nccc2)ccc1)N/N=C\c(cccc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C25H21BrN4O2/c26-23-11-9-19(10-12-23)18-32-24-8-2-1-6-22(24)16-27-29-25(31)21-7-3-5-20(15-21)17-30-14-4-13-28-30/h1-16H,17-18H2,(H,29,31) |
| InChIK | NFOSTPOZFPSGOY-UHFFFAOYSA-N |
| TotalMolweight | 489.372 |
| Molweight | 489.372 |
| MonoisotopicMass | 488.084787 |
| CLogP | 4.6947 |
| CLogS | -5.453 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 350.62 |
| Relative PSA | 0.18211 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 3.8601 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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