N-[(Z)-(5-nitro-2-pyrimidin-2-ylsulfanylphenyl)methylideneamino]benzamide
Formula:C18H13N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-nitro-2-pyrimidin-2-ylsulfanylphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitro-2-pyrimidin-2-ylsulfanylphenyl)methylideneamino]benzamide |
| MolecularFormula | C18H13N5O3S |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(c2ccccc2)=O)c1Sc1ncccn1)=O |
| InChI | InChI=1S/C18H13N5O3S/c24-17(13-5-2-1-3-6-13)22-21-12-14-11-15(23(25)26)7-8-16(14)27-18-19-9-4-10-20-18/h1-12H,(H,22,24) |
| InChIK | NZHYLLWJEWFNIO-UHFFFAOYSA-N |
| TotalMolweight | 379.399 |
| Molweight | 379.399 |
| MonoisotopicMass | 379.07391 |
| CLogP | 2.78 |
| CLogS | -4.732 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 285.43 |
| Relative PSA | 0.37088 |
| PolarSurfaceArea | 138.36 |
| Druglikeness | -0.51165 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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