(E)-3-(2-chloro-6-fluorophenyl)-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]prop-2-enamide
Formula:C19H15N3OClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]prop-2-enamide |
| MolecularFormula | C19H15N3OClFS |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)Nc1cn(CSc2ccccc2)nc1 |
| InChI | InChI=1S/C19H15ClFN3OS/c20-17-7-4-8-18(21)16(17)9-10-19(25)23-14-11-22-24(12-14)13-26-15-5-2-1-3-6-15/h1-12H,13H2,(H,23,25) |
| InChIK | GZLXLKIKYWPSHR-UHFFFAOYSA-N |
| TotalMolweight | 387.865 |
| Molweight | 387.865 |
| MonoisotopicMass | 387.060837 |
| CLogP | 4.2337 |
| CLogS | -1.971 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 289.47 |
| Relative PSA | 0.20669 |
| PolarSurfaceArea | 72.22 |
| Druglikeness | 2.61 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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