(E)-N-[(2-bromophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
Formula:C16H12N2OBrFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-[(2-bromophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(2-bromophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C16H12N2OBrFS |
| Smiles | O=C(/C=C/c(cc1)ccc1F)NC(Nc(cccc1)c1Br)=S |
| InChI | InChI=1S/C16H12BrFN2OS/c17-13-3-1-2-4-14(13)19-16(22)20-15(21)10-7-11-5-8-12(18)9-6-11/h1-10H,(H2,19,20,21,22) |
| InChIK | UPMJTNGLAFZKLY-UHFFFAOYSA-N |
| TotalMolweight | 379.252 |
| Molweight | 379.252 |
| MonoisotopicMass | 377.983772 |
| CLogP | 4.1447 |
| CLogS | -5.191 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 257.88 |
| Relative PSA | 0.24802 |
| PolarSurfaceArea | 73.22 |
| Druglikeness | -3.6883 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-(4-fluorophenyl)prop-2-enamide | 2 - (E)-N-[(2-bromophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off