4-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
Formula:C24H17N6OCl2F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-N-[(Z)-(2,4-dichlorophenyl)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)-(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine |
| MolecularFormula | C24H17N6OCl2F3 |
| Smiles | FC(COc1nc(N(c2ccccc2)c2ccccc2)nc(N/N=C\c(ccc(Cl)c2)c2Cl)n1)(F)F |
| InChI | InChI=1S/C24H17Cl2F3N6O/c25-17-12-11-16(20(26)13-17)14-30-34-21-31-22(33-23(32-21)36-15-24(27,28)29)35(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2,(H,31,32,33,34) |
| InChIK | BLHNJKRTYDZXMC-UHFFFAOYSA-N |
| TotalMolweight | 533.34 |
| Molweight | 533.34 |
| MonoisotopicMass | 532.079297 |
| CLogP | 8.8895 |
| CLogS | -10.041 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 379.4 |
| Relative PSA | 0.183 |
| PolarSurfaceArea | 75.53 |
| Druglikeness | -4.2004 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| 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)-(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine | 2 - 4-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
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