5-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide
Formula:C26H18N6O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide is a drug-like molecule.
| MolName | 5-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide |
| MolecularFormula | C26H18N6O3S |
| Smiles | Nc1c(C(N/N=C\c(cc2)ccc2[N+]([O-])=O)=O)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 |
| InChI | InChI=1S/C26H18N6O3S/c27-22-21-20(17-7-3-1-4-8-17)23(18-9-5-2-6-10-18)29-31-26(21)36-24(22)25(33)30-28-15-16-11-13-19(14-12-16)32(34)35/h1-15H,27H2,(H,30,33) |
| InChIK | ALEDPXXPMMOBHE-UHFFFAOYSA-N |
| TotalMolweight | 494.534 |
| Molweight | 494.534 |
| MonoisotopicMass | 494.116109 |
| CLogP | 4.2999 |
| CLogS | -8.951 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 366.76 |
| Relative PSA | 0.3381 |
| PolarSurfaceArea | 167.32 |
| Druglikeness | 0.41815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 5-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide | 2 - 5-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxamide
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