2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide
Formula:C25H20N4OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide is not a drug-like molecule.
| MolName | 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C25H20N4OCl2S |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc(cc1)ccc1Cl)N/N=C\C(\Cl)=C\c1ccccc1 |
| InChI | InChI=1S/C25H20Cl2N4OS/c26-20-12-10-19(11-13-20)16-31-23-9-5-4-8-22(23)29-25(31)33-17-24(32)30-28-15-21(27)14-18-6-2-1-3-7-18/h1-15H,16-17H2,(H,30,32) |
| InChIK | MGTNBGFYTNJVJP-UHFFFAOYSA-N |
| TotalMolweight | 495.433 |
| Molweight | 495.433 |
| MonoisotopicMass | 494.073485 |
| CLogP | 5.8323 |
| CLogS | -6.415 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 369.87 |
| Relative PSA | 0.19288 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | 6.4851 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide
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