N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Formula:C23H15N5O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide |
| MolecularFormula | C23H15N5O4Cl2S |
| Smiles | [O-][N+](c(cc(/C=N\NC(CSC(N1c(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C23H15Cl2N5O4S/c24-15-6-8-16(9-7-15)29-22(32)17-3-1-2-4-19(17)27-23(29)35-13-21(31)28-26-12-14-5-10-18(25)20(11-14)30(33)34/h1-12H,13H2,(H,28,31) |
| InChIK | CBXWKLWLOSOGGY-UHFFFAOYSA-N |
| TotalMolweight | 528.375 |
| Molweight | 528.375 |
| MonoisotopicMass | 527.022179 |
| CLogP | 4.5009 |
| CLogS | -8.057 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 370.03 |
| Relative PSA | 0.30273 |
| PolarSurfaceArea | 145.25 |
| Druglikeness | 0.64281 |
| 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 | 12 |
| Electronegative Atoms | 12 |
| 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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1 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide | 2 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
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