N-[(Z)-(3-nitrophenyl)methylideneamino]-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide
Formula:C17H13N7O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide |
| MolecularFormula | C17H13N7O4S |
| Smiles | [O-][N+](c1cccc(/C=N\NC(c2c(NC(Nc3ccccc3)=O)snn2)=O)c1)=O |
| InChI | InChI=1S/C17H13N7O4S/c25-15(22-18-10-11-5-4-8-13(9-11)24(27)28)14-16(29-23-21-14)20-17(26)19-12-6-2-1-3-7-12/h1-10H,(H,22,25)(H2,19,20,26) |
| InChIK | JCAHVAOVQLTOAY-UHFFFAOYSA-N |
| TotalMolweight | 411.401 |
| Molweight | 411.401 |
| MonoisotopicMass | 411.074973 |
| CLogP | 2.5958 |
| CLogS | -6.02 |
| H Acceptors | 11 |
| H Donors | 3 |
| TotalSurfaceArea | 304.55 |
| Relative PSA | 0.47509 |
| PolarSurfaceArea | 182.43 |
| Druglikeness | -3.7102 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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