2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
Formula:C23H20N4O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide |
| MolecularFormula | C23H20N4O2S |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc1ccccc1)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C23H20N4O2S/c28-22(26-24-14-6-10-19-11-7-15-29-19)17-30-23-25-20-12-4-5-13-21(20)27(23)16-18-8-2-1-3-9-18/h1-15H,16-17H2,(H,26,28) |
| InChIK | RCEHHTZGHVCIHN-UHFFFAOYSA-N |
| TotalMolweight | 416.504 |
| Molweight | 416.504 |
| MonoisotopicMass | 416.130696 |
| CLogP | 3.9534 |
| CLogS | -4.67 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 330.51 |
| Relative PSA | 0.25854 |
| PolarSurfaceArea | 97.72 |
| Druglikeness | 6.0928 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide | 2 - 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
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