N-[(Z)-benzylideneamino]-2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethylsulfanyl]acetamide
Formula:C20H18N3OClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethylsulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethylsulfanyl]acetamide |
| MolecularFormula | C20H18N3OClS2 |
| Smiles | O=C(CSCCc1nc(-c(cc2)ccc2Cl)cs1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C20H18ClN3OS2/c21-17-8-6-16(7-9-17)18-13-27-20(23-18)10-11-26-14-19(25)24-22-12-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,24,25) |
| InChIK | GOBQNRWCBAEXKM-UHFFFAOYSA-N |
| TotalMolweight | 415.968 |
| Molweight | 415.968 |
| MonoisotopicMass | 415.057979 |
| CLogP | 5.0322 |
| CLogS | -5.837 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 315.64 |
| Relative PSA | 0.26876 |
| PolarSurfaceArea | 107.89 |
| Druglikeness | 6.2369 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethylsulfanyl]acetamide | 2 - N-[(Z)-benzylideneamino]-2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethylsulfanyl]acetamide
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