(E)-N-[(2-bromophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
Formula:C20H15N2OBrS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(E)-N-[(2-bromophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[(2-bromophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide |
| MolecularFormula | C20H15N2OBrS |
| Smiles | O=C(/C=C/c1cccc2ccccc12)NC(Nc(cccc1)c1Br)=S |
| InChI | InChI=1S/C20H15BrN2OS/c21-17-10-3-4-11-18(17)22-20(25)23-19(24)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H,(H2,22,23,24,25) |
| InChIK | ZVQIMKQAFDEHIE-UHFFFAOYSA-N |
| TotalMolweight | 411.322 |
| Molweight | 411.322 |
| MonoisotopicMass | 410.008844 |
| CLogP | 5.2383 |
| CLogS | -6.483 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 286.13 |
| Relative PSA | 0.22353 |
| PolarSurfaceArea | 73.22 |
| Druglikeness | -2.3483 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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