N-benzyl-N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]aniline
Formula:C24H19N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]aniline is a drug-like molecule.
| MolName | N-benzyl-N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]aniline |
| MolecularFormula | C24H19N5O2S |
| Smiles | [O-][N+](c(cc(/C=N\N(Cc1ccccc1)c1ccccc1)cc1)c1Sc1ncccn1)=O |
| InChI | InChI=1S/C24H19N5O2S/c30-29(31)22-16-20(12-13-23(22)32-24-25-14-7-15-26-24)17-27-28(21-10-5-2-6-11-21)18-19-8-3-1-4-9-19/h1-17H,18H2 |
| InChIK | BPNRHUGORVCAQP-UHFFFAOYSA-N |
| TotalMolweight | 441.514 |
| Molweight | 441.514 |
| MonoisotopicMass | 441.125945 |
| CLogP | 4.5502 |
| CLogS | -5.313 |
| H Acceptors | 7 |
| TotalSurfaceArea | 340.04 |
| Relative PSA | 0.24971 |
| PolarSurfaceArea | 112.5 |
| Druglikeness | -1.2066 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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