N-[(Z)-[4-(furan-2-ylmethylsulfanyl)-3-nitrophenyl]methylideneamino]thiophene-2-carboxamide
Formula:C17H13N3O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(furan-2-ylmethylsulfanyl)-3-nitrophenyl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(furan-2-ylmethylsulfanyl)-3-nitrophenyl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C17H13N3O4S2 |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1cccs1)=O)cc1)c1SCc1ccco1)=O |
| InChI | InChI=1S/C17H13N3O4S2/c21-17(16-4-2-8-25-16)19-18-10-12-5-6-15(14(9-12)20(22)23)26-11-13-3-1-7-24-13/h1-10H,11H2,(H,19,21) |
| InChIK | OFURPFPSQIMYTR-UHFFFAOYSA-N |
| TotalMolweight | 387.439 |
| Molweight | 387.439 |
| MonoisotopicMass | 387.034747 |
| CLogP | 3.2967 |
| CLogS | -6.302 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 287.3 |
| Relative PSA | 0.41208 |
| PolarSurfaceArea | 153.96 |
| Druglikeness | 0.78182 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-(furan-2-ylmethylsulfanyl)-3-nitrophenyl]methylideneamino]thiophene-2-carboxamide | 2 - N-[(Z)-[4-(furan-2-ylmethylsulfanyl)-3-nitrophenyl]methylideneamino]thiophene-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off