4-N-[(Z)-(2-bromophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
Formula:C24H18N6OBrF3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-N-[(Z)-(2-bromophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is not a drug-like molecule.
| MolName | 4-N-[(Z)-(2-bromophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine |
| MolecularFormula | C24H18N6OBrF3 |
| Smiles | FC(COc1nc(N(c2ccccc2)c2ccccc2)nc(N/N=C\c(cccc2)c2Br)n1)(F)F |
| InChI | InChI=1S/C24H18BrF3N6O/c25-20-14-8-7-9-17(20)15-29-33-21-30-22(32-23(31-21)35-16-24(26,27)28)34(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-15H,16H2,(H,30,31,32,33) |
| InChIK | NUXRWDJIGKQJPW-UHFFFAOYSA-N |
| TotalMolweight | 543.346 |
| Molweight | 543.346 |
| MonoisotopicMass | 542.067754 |
| CLogP | 8.4027 |
| CLogS | -9.403 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 367.19 |
| Relative PSA | 0.18908 |
| PolarSurfaceArea | 75.53 |
| Druglikeness | -6.0185 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 4-N-[(Z)-(2-bromophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine | 2 - 4-N-[(Z)-(2-bromophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
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