2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C30H25N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C30H25N4O2ClS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc(cccc1)c1Cl)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C30H25ClN4O2S/c31-26-11-5-4-10-24(26)19-35-28-13-7-6-12-27(28)33-30(35)38-21-29(36)34-32-18-22-14-16-25(17-15-22)37-20-23-8-2-1-3-9-23/h1-18H,19-21H2,(H,34,36) |
| InChIK | AWOSTNCPKUFVHK-UHFFFAOYSA-N |
| TotalMolweight | 541.074 |
| Molweight | 541.074 |
| MonoisotopicMass | 540.138673 |
| CLogP | 6.7005 |
| CLogS | -6.773 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 413.26 |
| Relative PSA | 0.19683 |
| PolarSurfaceArea | 93.81 |
| Druglikeness | 5.9643 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60526 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
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