N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
Formula:C25H19N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide |
| MolecularFormula | C25H19N5O4S |
| Smiles | [O-][N+](c1c(/C=C/C=N\NC(CSC(N2c3ccccc3)=Nc(cccc3)c3C2=O)=O)cccc1)=O |
| InChI | InChI=1S/C25H19N5O4S/c31-23(28-26-16-8-10-18-9-4-7-15-22(18)30(33)34)17-35-25-27-21-14-6-5-13-20(21)24(32)29(25)19-11-2-1-3-12-19/h1-16H,17H2,(H,28,31) |
| InChIK | ISSSHYLVLSARCH-UHFFFAOYSA-N |
| TotalMolweight | 485.523 |
| Molweight | 485.523 |
| MonoisotopicMass | 485.115775 |
| CLogP | 3.3072 |
| CLogS | -6.877 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 365.69 |
| Relative PSA | 0.30633 |
| PolarSurfaceArea | 145.25 |
| Druglikeness | 0.67667 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| 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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1 - N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide | 2 - N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
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