N-[(Z)-(4-bromophenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
Formula:C18H16N4O2Br2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide |
| MolecularFormula | C18H16N4O2Br2S |
| Smiles | O=C(CSCC(N/N=C\c(cc1)ccc1Br)=O)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C18H16Br2N4O2S/c19-15-5-1-13(2-6-15)9-21-23-17(25)11-27-12-18(26)24-22-10-14-3-7-16(20)8-4-14/h1-10H,11-12H2,(H,23,25)(H,24,26) |
| InChIK | DMOXJEIABCEDGB-UHFFFAOYSA-N |
| TotalMolweight | 512.225 |
| Molweight | 512.225 |
| MonoisotopicMass | 509.936068 |
| CLogP | 4.635 |
| CLogS | -6.393 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 323.23 |
| Relative PSA | 0.27692 |
| PolarSurfaceArea | 108.22 |
| Druglikeness | 2.8785 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.77778 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 15 |
| StereoCon |
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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
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