3-[(Z)-(3-nitrophenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
Formula:C19H12N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(3-nitrophenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(3-nitrophenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one |
| MolecularFormula | C19H12N4O3S |
| Smiles | [O-][N+](c1cccc(/C=N\N(C=Nc2c3c(-c4ccccc4)cs2)C3=O)c1)=O |
| InChI | InChI=1S/C19H12N4O3S/c24-19-17-16(14-6-2-1-3-7-14)11-27-18(17)20-12-22(19)21-10-13-5-4-8-15(9-13)23(25)26/h1-12H |
| InChIK | JEBPPDWNJDDTPV-UHFFFAOYSA-N |
| TotalMolweight | 376.395 |
| Molweight | 376.395 |
| MonoisotopicMass | 376.063011 |
| CLogP | 3.1836 |
| CLogS | -6.395 |
| H Acceptors | 7 |
| TotalSurfaceArea | 276.46 |
| Relative PSA | 0.32696 |
| PolarSurfaceArea | 119.09 |
| Druglikeness | 0.61762 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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