2-(azepan-1-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-oxoacetamide
Formula:C16H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(azepan-1-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-oxoacetamide is a drug-like molecule.
| MolName | 2-(azepan-1-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-oxoacetamide |
| MolecularFormula | C16H19N3O4 |
| Smiles | O=C(C(N1CCCCCC1)=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C16H19N3O4/c20-15(16(21)19-7-3-1-2-4-8-19)18-17-10-12-5-6-13-14(9-12)23-11-22-13/h5-6,9-10H,1-4,7-8,11H2,(H,18,20) |
| InChIK | DTGFVGANNSCNSJ-UHFFFAOYSA-N |
| TotalMolweight | 317.344 |
| Molweight | 317.344 |
| MonoisotopicMass | 317.137557 |
| CLogP | 2.2881 |
| CLogS | -3.593 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 244.6 |
| Relative PSA | 0.29681 |
| PolarSurfaceArea | 80.23 |
| Druglikeness | 0.89625 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(azepan-1-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-oxoacetamide | 2 - 2-(azepan-1-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-oxoacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off