5-nitro-N-[(Z)-[4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzothiophene-2-carboxamide
Formula:C23H16N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-N-[(Z)-[4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | 5-nitro-N-[(Z)-[4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C23H16N4O6S |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(N/N=C\c(cc1)ccc1OCc1cc([N+]([O-])=O)ccc1)=O)c2)=O |
| InChI | InChI=1S/C23H16N4O6S/c28-23(22-12-17-11-19(27(31)32)6-9-21(17)34-22)25-24-13-15-4-7-20(8-5-15)33-14-16-2-1-3-18(10-16)26(29)30/h1-13H,14H2,(H,25,28) |
| InChIK | DIDILHGGQAYABC-UHFFFAOYSA-N |
| TotalMolweight | 476.468 |
| Molweight | 476.468 |
| MonoisotopicMass | 476.079056 |
| CLogP | 3.6277 |
| CLogS | -7.331 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 348.39 |
| Relative PSA | 0.36514 |
| PolarSurfaceArea | 170.57 |
| Druglikeness | 0.38073 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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