2-amino-N-benzyl-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula:C23H18N6OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-amino-N-benzyl-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-N-benzyl-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide |
| MolecularFormula | C23H18N6OS |
| Smiles | Nc1c(C(NCc2ccccc2)=O)c2nc3ccccc3nc2n1/N=C\c1cccs1 |
| InChI | InChI=1S/C23H18N6OS/c24-21-19(23(30)25-13-15-7-2-1-3-8-15)20-22(28-18-11-5-4-10-17(18)27-20)29(21)26-14-16-9-6-12-31-16/h1-12,14H,13,24H2,(H,25,30) |
| InChIK | BVTLYTCLTQUYID-UHFFFAOYSA-N |
| TotalMolweight | 426.503 |
| Molweight | 426.503 |
| MonoisotopicMass | 426.126279 |
| CLogP | 3.7384 |
| CLogS | -8.37 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 320.89 |
| Relative PSA | 0.31304 |
| PolarSurfaceArea | 126.43 |
| Druglikeness | 7.3235 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-amino-N-benzyl-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide | 2 - 2-amino-N-benzyl-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
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