(E)-3-(4-bromophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
Formula:C18H12N2OBrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide |
| MolecularFormula | C18H12N2OBrClS |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)Nc1nc(-c(cc2)ccc2Cl)cs1 |
| InChI | InChI=1S/C18H12BrClN2OS/c19-14-6-1-12(2-7-14)3-10-17(23)22-18-21-16(11-24-18)13-4-8-15(20)9-5-13/h1-11H,(H,21,22,23) |
| InChIK | RJPQLCSDRZFECW-UHFFFAOYSA-N |
| TotalMolweight | 419.729 |
| Molweight | 419.729 |
| MonoisotopicMass | 417.954221 |
| CLogP | 5.843 |
| CLogS | -6.579 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 277.24 |
| Relative PSA | 0.20138 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | -0.38501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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