N-[(Z)-[(2Z)-2-(azepane-1-carbothioylhydrazinylidene)ethylidene]amino]azepane-1-carbothioamide
Formula:C16H28N6S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[(2Z)-2-(azepane-1-carbothioylhydrazinylidene)ethylidene]amino]azepane-1-carbothioamide is a drug-like molecule.
| MolName | N-[(Z)-[(2Z)-2-(azepane-1-carbothioylhydrazinylidene)ethylidene]amino]azepane-1-carbothioamide |
| MolecularFormula | C16H28N6S2 |
| Smiles | S=C(N/N=C\C=N/NC(N1CCCCCC1)=S)N1CCCCCC1 |
| InChI | InChI=1S/C16H28N6S2/c23-15(21-11-5-1-2-6-12-21)19-17-9-10-18-20-16(24)22-13-7-3-4-8-14-22/h9-10H,1-8,11-14H2,(H,19,23)(H,20,24) |
| InChIK | PXWCPKBGQYDAOI-UHFFFAOYSA-N |
| TotalMolweight | 368.572 |
| Molweight | 368.572 |
| MonoisotopicMass | 368.181684 |
| CLogP | 2.7634 |
| CLogS | -3.876 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 310.08 |
| Relative PSA | 0.35165 |
| PolarSurfaceArea | 119.44 |
| Druglikeness | -0.12964 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 14 |
| Symmetricatoms | 15 |
| StereoCon |
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1 - N-[(Z)-[(2Z)-2-(azepane-1-carbothioylhydrazinylidene)ethylidene]amino]azepane-1-carbothioamide | 2 - N-[(Z)-[(2Z)-2-(azepane-1-carbothioylhydrazinylidene)ethylidene]amino]azepane-1-carbothioamide
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