(2E)-N-(4-bromophenyl)-2-(diaminomethylidenehydrazinylidene)-2-phenylethanethioamide
Formula:C15H14N5BrS
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(2E)-N-(4-bromophenyl)-2-(diaminomethylidenehydrazinylidene)-2-phenylethanethioamide is a drug-like molecule.
| MolName | (2E)-N-(4-bromophenyl)-2-(diaminomethylidenehydrazinylidene)-2-phenylethanethioamide |
| MolecularFormula | C15H14N5BrS |
| Smiles | NC(N)=N/N=C(/C(Nc(cc1)ccc1Br)=S)\c1ccccc1 |
| InChI | InChI=1S/C15H14BrN5S/c16-11-6-8-12(9-7-11)19-14(22)13(20-21-15(17)18)10-4-2-1-3-5-10/h1-9H,(H,19,22)(H4,17,18,21) |
| InChIK | NNJHBVLPFHBCPT-UHFFFAOYSA-N |
| TotalMolweight | 376.281 |
| Molweight | 376.281 |
| MonoisotopicMass | 375.015326 |
| CLogP | 3.3955 |
| CLogS | -6.095 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 258.8 |
| Relative PSA | 0.35943 |
| PolarSurfaceArea | 120.88 |
| Druglikeness | -0.78342 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; thio-amide/urea |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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