(E)-3-(5-nitrothiophen-2-yl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
Formula:C19H16N4O4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(5-nitrothiophen-2-yl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(5-nitrothiophen-2-yl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide |
| MolecularFormula | C19H16N4O4S |
| Smiles | [O-][N+](c1ccc(/C=C/C(Nc2nnc(-c3cc(CCCC4)c4cc3)o2)=O)s1)=O |
| InChI | InChI=1S/C19H16N4O4S/c24-16(9-7-15-8-10-17(28-15)23(25)26)20-19-22-21-18(27-19)14-6-5-12-3-1-2-4-13(12)11-14/h5-11H,1-4H2,(H,20,22,24) |
| InChIK | JEAOUQIAFYHAEM-UHFFFAOYSA-N |
| TotalMolweight | 396.426 |
| Molweight | 396.426 |
| MonoisotopicMass | 396.089226 |
| CLogP | 3.6223 |
| CLogS | -7.21 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 296.85 |
| Relative PSA | 0.37504 |
| PolarSurfaceArea | 142.08 |
| Druglikeness | -8.0704 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(5-nitrothiophen-2-yl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide | 2 - (E)-3-(5-nitrothiophen-2-yl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
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