2-amino-N-(2-phenylethyl)-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula:C24H20N6OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-amino-N-(2-phenylethyl)-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-N-(2-phenylethyl)-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide |
| MolecularFormula | C24H20N6OS |
| Smiles | Nc1c(C(NCCc2ccccc2)=O)c2nc3ccccc3nc2n1/N=C\c1cccs1 |
| InChI | InChI=1S/C24H20N6OS/c25-22-20(24(31)26-13-12-16-7-2-1-3-8-16)21-23(29-19-11-5-4-10-18(19)28-21)30(22)27-15-17-9-6-14-32-17/h1-11,14-15H,12-13,25H2,(H,26,31) |
| InChIK | VGSCWXAIOLMZAM-UHFFFAOYSA-N |
| TotalMolweight | 440.53 |
| Molweight | 440.53 |
| MonoisotopicMass | 440.141929 |
| CLogP | 4.1685 |
| CLogS | -8.482 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 334.65 |
| Relative PSA | 0.30016 |
| PolarSurfaceArea | 126.43 |
| Druglikeness | 7.3734 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-amino-N-(2-phenylethyl)-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide | 2 - 2-amino-N-(2-phenylethyl)-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
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