N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C20H15N6O3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C20H15N6O3F3S |
| Smiles | [O-][N+](c(cc(/C=N\NC(CNc1cc(C(F)(F)F)ccc1)=O)cc1)c1Sc1ncccn1)=O |
| InChI | InChI=1S/C20H15F3N6O3S/c21-20(22,23)14-3-1-4-15(10-14)26-12-18(30)28-27-11-13-5-6-17(16(9-13)29(31)32)33-19-24-7-2-8-25-19/h1-11,26H,12H2,(H,28,30) |
| InChIK | GJMWRDLDNWXQBG-UHFFFAOYSA-N |
| TotalMolweight | 476.438 |
| Molweight | 476.438 |
| MonoisotopicMass | 476.087843 |
| CLogP | 2.9202 |
| CLogS | -5.332 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 340.11 |
| Relative PSA | 0.34495 |
| PolarSurfaceArea | 150.39 |
| Druglikeness | -7.073 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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