N-[2-chloro-4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide
Formula:C19H14N3O4ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
N-[2-chloro-4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[2-chloro-4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide |
| MolecularFormula | C19H14N3O4ClS |
| Smiles | O=C(/C=C/c1ccco1)NC(Nc(cc1)cc(Cl)c1NC(c1ccco1)=O)=S |
| InChI | InChI=1S/C19H14ClN3O4S/c20-14-11-12(5-7-15(14)22-18(25)16-4-2-10-27-16)21-19(28)23-17(24)8-6-13-3-1-9-26-13/h1-11H,(H,22,25)(H2,21,23,24,28) |
| InChIK | XRMRIIUJHRNOCR-UHFFFAOYSA-N |
| TotalMolweight | 415.856 |
| Molweight | 415.856 |
| MonoisotopicMass | 415.039354 |
| CLogP | 3.4496 |
| CLogS | -5.655 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 316.67 |
| Relative PSA | 0.36846 |
| PolarSurfaceArea | 128.6 |
| Druglikeness | 0.14706 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 2 |
| StereoCon |
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