N-[(Z)-(2-nitrophenyl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
Formula:C23H17N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide |
| MolecularFormula | C23H17N5O4S |
| Smiles | [O-][N+](c1c(/C=N\NC(CSC(N2c3ccccc3)=Nc(cccc3)c3C2=O)=O)cccc1)=O |
| InChI | InChI=1S/C23H17N5O4S/c29-21(26-24-14-16-8-4-7-13-20(16)28(31)32)15-33-23-25-19-12-6-5-11-18(19)22(30)27(23)17-9-2-1-3-10-17/h1-14H,15H2,(H,26,29) |
| InChIK | IHNFBRJNECERKK-UHFFFAOYSA-N |
| TotalMolweight | 459.485 |
| Molweight | 459.485 |
| MonoisotopicMass | 459.100125 |
| CLogP | 3.2889 |
| CLogS | -6.585 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 339.19 |
| Relative PSA | 0.33026 |
| PolarSurfaceArea | 145.25 |
| Druglikeness | 0.61066 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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