N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
Formula:C23H17N5O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide |
| MolecularFormula | C23H17N5O3Cl2S |
| Smiles | [O-][N+](c(cc(/C=N\NC(CSc1nc(cccc2)c2n1Cc(cc1)ccc1Cl)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C23H17Cl2N5O3S/c24-17-8-5-15(6-9-17)13-29-20-4-2-1-3-19(20)27-23(29)34-14-22(31)28-26-12-16-7-10-18(25)21(11-16)30(32)33/h1-12H,13-14H2,(H,28,31) |
| InChIK | NEGOPGSGJPGHQG-UHFFFAOYSA-N |
| TotalMolweight | 514.392 |
| Molweight | 514.392 |
| MonoisotopicMass | 513.042914 |
| CLogP | 4.8664 |
| CLogS | -6.628 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 368.83 |
| Relative PSA | 0.2759 |
| PolarSurfaceArea | 130.4 |
| Druglikeness | 1.1605 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide | 2 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
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