(2Z)-2-(carbamothioylhydrazinylidene)-N-(3,4-dichlorophenyl)-4-oxo-4-phenylbutanamide
Formula:C17H14N4O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(carbamothioylhydrazinylidene)-N-(3,4-dichlorophenyl)-4-oxo-4-phenylbutanamide is a drug-like molecule.
| MolName | (2Z)-2-(carbamothioylhydrazinylidene)-N-(3,4-dichlorophenyl)-4-oxo-4-phenylbutanamide |
| MolecularFormula | C17H14N4O2Cl2S |
| Smiles | NC(N/N=C(/CC(c1ccccc1)=O)\C(Nc(cc1)cc(Cl)c1Cl)=O)=S |
| InChI | InChI=1S/C17H14Cl2N4O2S/c18-12-7-6-11(8-13(12)19)21-16(25)14(22-23-17(20)26)9-15(24)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,25)(H3,20,23,26) |
| InChIK | CWZXQDDEWFYGIO-UHFFFAOYSA-N |
| TotalMolweight | 409.296 |
| Molweight | 409.296 |
| MonoisotopicMass | 408.02145 |
| CLogP | 2.9238 |
| CLogS | -5.896 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 300.24 |
| Relative PSA | 0.34566 |
| PolarSurfaceArea | 128.67 |
| Druglikeness | 4.6983 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-(carbamothioylhydrazinylidene)-N-(3,4-dichlorophenyl)-4-oxo-4-phenylbutanamide | 2 - (2Z)-2-(carbamothioylhydrazinylidene)-N-(3,4-dichlorophenyl)-4-oxo-4-phenylbutanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off