2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C25H22N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C25H22N4OS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc1ccccc1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C25H22N4OS/c30-24(28-26-17-9-14-20-10-3-1-4-11-20)19-31-25-27-22-15-7-8-16-23(22)29(25)18-21-12-5-2-6-13-21/h1-17H,18-19H2,(H,28,30) |
| InChIK | PBDCGUDVGHORBP-UHFFFAOYSA-N |
| TotalMolweight | 426.543 |
| Molweight | 426.543 |
| MonoisotopicMass | 426.151431 |
| CLogP | 4.7647 |
| CLogS | -4.988 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 340.82 |
| Relative PSA | 0.20932 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | 6.278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
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