N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
Formula:C21H15N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide |
| MolecularFormula | C21H15N5O4S |
| Smiles | [O-][N+](c1cccc(/C=N\NC(CN(C=Nc2c3cc(-c4ccccc4)s2)C3=O)=O)c1)=O |
| InChI | InChI=1S/C21H15N5O4S/c27-19(24-23-11-14-5-4-8-16(9-14)26(29)30)12-25-13-22-20-17(21(25)28)10-18(31-20)15-6-2-1-3-7-15/h1-11,13H,12H2,(H,24,27) |
| InChIK | VMMVEWINVYEJRC-UHFFFAOYSA-N |
| TotalMolweight | 433.447 |
| Molweight | 433.447 |
| MonoisotopicMass | 433.084475 |
| CLogP | 2.9515 |
| CLogS | -6.326 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 319.43 |
| Relative PSA | 0.35967 |
| PolarSurfaceArea | 148.19 |
| Druglikeness | 3.5017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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