(E)-N-[(4-bromophenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
Formula:C14H11N2OBrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-[(4-bromophenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(4-bromophenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C14H11N2OBrS2 |
| Smiles | O=C(/C=C/c1cccs1)NC(Nc(cc1)ccc1Br)=S |
| InChI | InChI=1S/C14H11BrN2OS2/c15-10-3-5-11(6-4-10)16-14(19)17-13(18)8-7-12-2-1-9-20-12/h1-9H,(H2,16,17,18,19) |
| InChIK | YGZVJJKHKMNQLP-UHFFFAOYSA-N |
| TotalMolweight | 367.29 |
| Molweight | 367.29 |
| MonoisotopicMass | 365.949614 |
| CLogP | 3.9105 |
| CLogS | -4.887 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 247.47 |
| Relative PSA | 0.34073 |
| PolarSurfaceArea | 101.46 |
| Druglikeness | -0.27154 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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