N-[(Z)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylideneamino]benzamide
Formula:C18H14N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylideneamino]benzamide |
| MolecularFormula | C18H14N4O4S |
| Smiles | O=C(c1ccccc1)N/N=C\CSc1nnc(-c(cc2)cc3c2OCO3)o1 |
| InChI | InChI=1S/C18H14N4O4S/c23-16(12-4-2-1-3-5-12)20-19-8-9-27-18-22-21-17(26-18)13-6-7-14-15(10-13)25-11-24-14/h1-8,10H,9,11H2,(H,20,23) |
| InChIK | WEWSOBQENLTSOI-UHFFFAOYSA-N |
| TotalMolweight | 382.399 |
| Molweight | 382.399 |
| MonoisotopicMass | 382.073576 |
| CLogP | 3.2821 |
| CLogS | -6.394 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 285.47 |
| Relative PSA | 0.38375 |
| PolarSurfaceArea | 124.14 |
| Druglikeness | 4.6209 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylideneamino]benzamide | 2 - N-[(Z)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylideneamino]benzamide
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