(5E)-5-(aminocarbamothioylhydrazinylidene)-7-oxo-7-phenyl-N-(2-phenylethyl)heptanamide
Formula:C22H27N5O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(5E)-5-(aminocarbamothioylhydrazinylidene)-7-oxo-7-phenyl-N-(2-phenylethyl)heptanamide is a drug-like molecule.
| MolName | (5E)-5-(aminocarbamothioylhydrazinylidene)-7-oxo-7-phenyl-N-(2-phenylethyl)heptanamide |
| MolecularFormula | C22H27N5O2S |
| Smiles | NNC(N/N=C(\CCCC(NCCc1ccccc1)=O)/CC(c1ccccc1)=O)=S |
| InChI | InChI=1S/C22H27N5O2S/c23-25-22(30)27-26-19(16-20(28)18-10-5-2-6-11-18)12-7-13-21(29)24-15-14-17-8-3-1-4-9-17/h1-6,8-11H,7,12-16,23H2,(H,24,29)(H2,25,27,30) |
| InChIK | ZHMHAQFXCNDGIY-UHFFFAOYSA-N |
| TotalMolweight | 425.555 |
| Molweight | 425.555 |
| MonoisotopicMass | 425.188545 |
| CLogP | 2.4504 |
| CLogS | -5.439 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 349.66 |
| Relative PSA | 0.32958 |
| PolarSurfaceArea | 140.7 |
| Druglikeness | -3.7993 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | hydrazine; thio-amide/urea |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 11 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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