N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Formula:C18H13N5O3Cl2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide |
| MolecularFormula | C18H13N5O3Cl2S3 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CSc2nnc(SCc(cc3)ccc3Cl)s2)=O)c1Cl)=O |
| InChI | InChI=1S/C18H13Cl2N5O3S3/c19-13-3-1-11(2-4-13)9-29-17-23-24-18(31-17)30-10-16(26)22-21-8-12-7-14(25(27)28)5-6-15(12)20/h1-8H,9-10H2,(H,22,26) |
| InChIK | CHUYARZGBAUWKL-UHFFFAOYSA-N |
| TotalMolweight | 514.437 |
| Molweight | 514.437 |
| MonoisotopicMass | 512.955754 |
| CLogP | 4.7034 |
| CLogS | -8.272 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 357.22 |
| Relative PSA | 0.4023 |
| PolarSurfaceArea | 191.9 |
| Druglikeness | 0.013968 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide | 2 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
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