2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
Formula:C16H14N4O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide |
| MolecularFormula | C16H14N4O2S |
| Smiles | O=C(CSc1nc(cccc2)c2[nH]1)N/N=C\C=C/c1ccco1 |
| InChI | InChI=1S/C16H14N4O2S/c21-15(20-17-9-3-5-12-6-4-10-22-12)11-23-16-18-13-7-1-2-8-14(13)19-16/h1-10H,11H2,(H,18,19)(H,20,21) |
| InChIK | NMWGDEUXGXAXQG-UHFFFAOYSA-N |
| TotalMolweight | 326.379 |
| Molweight | 326.379 |
| MonoisotopicMass | 326.083746 |
| CLogP | 2.4631 |
| CLogS | -4.217 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 257.36 |
| Relative PSA | 0.35969 |
| PolarSurfaceArea | 108.58 |
| Druglikeness | 4.8775 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide | 2 - 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
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