5-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
Formula:C21H14N6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | 5-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine |
| MolecularFormula | C21H14N6S |
| Smiles | C(c1cc2nccnc2cc1)=N\Nc1c(c(-c2ccccc2)cs2)c2ncn1 |
| InChI | InChI=1S/C21H14N6S/c1-2-4-15(5-3-1)16-12-28-21-19(16)20(24-13-25-21)27-26-11-14-6-7-17-18(10-14)23-9-8-22-17/h1-13H,(H,24,25,27) |
| InChIK | FQEOPXHLZNQGDN-UHFFFAOYSA-N |
| TotalMolweight | 382.45 |
| Molweight | 382.45 |
| MonoisotopicMass | 382.100064 |
| CLogP | 5.7613 |
| CLogS | -6.528 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 289.18 |
| Relative PSA | 0.30158 |
| PolarSurfaceArea | 104.19 |
| Druglikeness | 2.86 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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