N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiophene-2-carboxamide
Formula:C23H16N2O2Br2S
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiophene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C23H16N2O2Br2S |
| Smiles | O=C(c1cccs1)N/N=C\c(cc1Br)cc(Br)c1OCc1cccc2ccccc12 |
| InChI | InChI=1S/C23H16Br2N2O2S/c24-19-11-15(13-26-27-23(28)21-9-4-10-30-21)12-20(25)22(19)29-14-17-7-3-6-16-5-1-2-8-18(16)17/h1-13H,14H2,(H,27,28) |
| InChIK | LSJVYWASOCGBLA-UHFFFAOYSA-N |
| TotalMolweight | 544.266 |
| Molweight | 544.266 |
| MonoisotopicMass | 541.92992 |
| CLogP | 7.0611 |
| CLogS | -8.346 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 338.31 |
| Relative PSA | 0.19618 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 4.1187 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiophene-2-carboxamide | 2 - N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiophene-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off