(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
Formula:C24H13N3O2Cl4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide |
| MolecularFormula | C24H13N3O2Cl4S |
| Smiles | N#C/C(/C(Nc1ncc(Cc(cc(cc2)Cl)c2Cl)s1)=O)=C\c1ccc(-c2cccc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C24H13Cl4N3O2S/c25-15-4-6-19(26)13(8-15)10-17-12-30-24(34-17)31-23(32)14(11-29)9-16-5-7-21(33-16)18-2-1-3-20(27)22(18)28/h1-9,12H,10H2,(H,30,31,32) |
| InChIK | NCRWKLKGSJYGHS-UHFFFAOYSA-N |
| TotalMolweight | 549.264 |
| Molweight | 549.264 |
| MonoisotopicMass | 546.948255 |
| CLogP | 7.8746 |
| CLogS | -9.728 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 388 |
| Relative PSA | 0.21521 |
| PolarSurfaceArea | 107.16 |
| Druglikeness | 0.5528 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB; limit! thiazol-2-ylamine |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide | 2 - (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
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