(E)-N-[(2-bromophenyl)carbamothioyl]-3-phenylprop-2-enamide
Formula:C16H13N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-[(2-bromophenyl)carbamothioyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(2-bromophenyl)carbamothioyl]-3-phenylprop-2-enamide |
| MolecularFormula | C16H13N2OBrS |
| Smiles | O=C(/C=C/c1ccccc1)NC(Nc(cccc1)c1Br)=S |
| InChI | InChI=1S/C16H13BrN2OS/c17-13-8-4-5-9-14(13)18-16(21)19-15(20)11-10-12-6-2-1-3-7-12/h1-11H,(H2,18,19,20,21) |
| InChIK | TWVVIOWMPGOSKL-UHFFFAOYSA-N |
| TotalMolweight | 361.262 |
| Molweight | 361.262 |
| MonoisotopicMass | 359.993194 |
| CLogP | 4.0439 |
| CLogS | -4.877 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 251.53 |
| Relative PSA | 0.25428 |
| PolarSurfaceArea | 73.22 |
| Druglikeness | -2.3483 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[(2-bromophenyl)carbamothioyl]-3-phenylprop-2-enamide | 2 - (E)-N-[(2-bromophenyl)carbamothioyl]-3-phenylprop-2-enamide
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