N-[(Z)-[3-nitro-4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylphenyl]methylideneamino]furan-2-carboxamide
Formula:C23H14N5O4F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-nitro-4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylphenyl]methylideneamino]furan-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-nitro-4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylphenyl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C23H14N5O4F3S |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1ccco1)=O)cc1)c1Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)=O |
| InChI | InChI=1S/C23H14F3N5O4S/c24-23(25,26)20-12-16(15-5-2-1-3-6-15)28-22(29-20)36-19-9-8-14(11-17(19)31(33)34)13-27-30-21(32)18-7-4-10-35-18/h1-13H,(H,30,32) |
| InChIK | HZQSORFYENVCJC-UHFFFAOYSA-N |
| TotalMolweight | 513.455 |
| Molweight | 513.455 |
| MonoisotopicMass | 513.071859 |
| CLogP | 4.6212 |
| CLogS | -6.994 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 364.34 |
| Relative PSA | 0.32928 |
| PolarSurfaceArea | 151.5 |
| Druglikeness | -7.5356 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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