(E)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Formula:C18H11N3O3F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C18H11N3O3F2S |
| Smiles | [O-][N+](c1cccc(/C=C/C(Nc2nc(-c(ccc(F)c3)c3F)cs2)=O)c1)=O |
| InChI | InChI=1S/C18H11F2N3O3S/c19-12-5-6-14(15(20)9-12)16-10-27-18(21-16)22-17(24)7-4-11-2-1-3-13(8-11)23(25)26/h1-10H,(H,21,22,24) |
| InChIK | RFBQAZLZYBGHMJ-UHFFFAOYSA-N |
| TotalMolweight | 387.365 |
| Molweight | 387.365 |
| MonoisotopicMass | 387.048918 |
| CLogP | 3.7918 |
| CLogS | -6.097 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 279.56 |
| Relative PSA | 0.30852 |
| PolarSurfaceArea | 116.05 |
| Druglikeness | -5.0543 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! thiazol-2-ylamine |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide | 2 - (E)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off