N-[2-[(2Z)-2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
Formula:C27H21N3O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[2-[(2Z)-2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is not a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide |
| MolecularFormula | C27H21N3O3Cl2 |
| Smiles | O=C(CNC(C(c1ccccc1)c1ccccc1)=O)N/N=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C27H21Cl2N3O3/c28-22-13-11-20(15-23(22)29)24-14-12-21(35-24)16-31-32-25(33)17-30-27(34)26(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,26H,17H2,(H,30,34)(H,32,33) |
| InChIK | DRUWQHHLVGGXDD-UHFFFAOYSA-N |
| TotalMolweight | 506.388 |
| Molweight | 506.388 |
| MonoisotopicMass | 505.095996 |
| CLogP | 5.9619 |
| CLogS | -7.534 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 382.51 |
| Relative PSA | 0.19508 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 8.2236 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide | 2 - N-[2-[(2Z)-2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off