2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C15H14N6O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C15H14N6O2S |
| Smiles | O=C(CN(C1=C2CCC1)c1ncnn1C2=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C15H14N6O2S/c22-13(19-17-7-10-3-2-6-24-10)8-20-12-5-1-4-11(12)14(23)21-15(20)16-9-18-21/h2-3,6-7,9H,1,4-5,8H2,(H,19,22) |
| InChIK | LDHCTJZJYFJPHI-UHFFFAOYSA-N |
| TotalMolweight | 342.382 |
| Molweight | 342.382 |
| MonoisotopicMass | 342.089894 |
| CLogP | 2.1988 |
| CLogS | -4.44 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 248.66 |
| Relative PSA | 0.40927 |
| PolarSurfaceArea | 120.72 |
| Druglikeness | 6.9872 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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