N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-bromophenyl)methyl]-4-nitropyrazole-3-carboxamide
Formula:C25H19N5O4Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-bromophenyl)methyl]-4-nitropyrazole-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-bromophenyl)methyl]-4-nitropyrazole-3-carboxamide |
| MolecularFormula | C25H19N5O4Br2 |
| Smiles | [O-][N+](c1cn(Cc(cc2)ccc2Br)nc1C(N/N=C\c(cccc1)c1OCc(cc1)ccc1Br)=O)=O |
| InChI | InChI=1S/C25H19Br2N5O4/c26-20-9-5-17(6-10-20)14-31-15-22(32(34)35)24(30-31)25(33)29-28-13-19-3-1-2-4-23(19)36-16-18-7-11-21(27)12-8-18/h1-13,15H,14,16H2,(H,29,33) |
| InChIK | CINTVDPPGIXSKC-UHFFFAOYSA-N |
| TotalMolweight | 613.265 |
| Molweight | 613.265 |
| MonoisotopicMass | 610.980377 |
| CLogP | 4.5523 |
| CLogS | -6.771 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 392.92 |
| Relative PSA | 0.23992 |
| PolarSurfaceArea | 114.33 |
| Druglikeness | 0.052919 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-bromophenyl)methyl]-4-nitropyrazole-3-carboxamide | 2 - N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-bromophenyl)methyl]-4-nitropyrazole-3-carboxamide
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