N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetamide
Formula:C17H15N6O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetamide |
| MolecularFormula | C17H15N6O2Cl |
| Smiles | O=C(CN(C1=C2CCC1)c1ncnn1C2=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H15ClN6O2/c18-12-6-4-11(5-7-12)8-20-22-15(25)9-23-14-3-1-2-13(14)16(26)24-17(23)19-10-21-24/h4-8,10H,1-3,9H2,(H,22,25) |
| InChIK | JRGXDTZTUAZEJI-UHFFFAOYSA-N |
| TotalMolweight | 370.799 |
| Molweight | 370.799 |
| MonoisotopicMass | 370.094501 |
| CLogP | 2.9382 |
| CLogS | -5.166 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 268.14 |
| Relative PSA | 0.30361 |
| PolarSurfaceArea | 92.48 |
| Druglikeness | 5.8364 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off