N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenoxyacetamide
Formula:C19H15N2O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenoxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenoxyacetamide |
| MolecularFormula | C19H15N2O3BrS |
| Smiles | O=C(C(Oc1ccccc1)Oc1ccccc1)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C19H15BrN2O3S/c20-17-12-11-16(26-17)13-21-22-18(23)19(24-14-7-3-1-4-8-14)25-15-9-5-2-6-10-15/h1-13,19H,(H,22,23) |
| InChIK | RQENMMWEPHHWSL-UHFFFAOYSA-N |
| TotalMolweight | 431.309 |
| Molweight | 431.309 |
| MonoisotopicMass | 429.998674 |
| CLogP | 4.8107 |
| CLogS | -5.633 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 293.82 |
| Relative PSA | 0.25992 |
| PolarSurfaceArea | 88.16 |
| Druglikeness | 2.4395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 9 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenoxyacetamide | 2 - N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenoxyacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off