(E)-3-(1,3-benzodioxol-5-yl)-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]prop-2-enamide
Formula:C19H18NO3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]prop-2-enamide |
| MolecularFormula | C19H18NO3ClS |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCO2)NCCSCc(cccc1)c1Cl |
| InChI | InChI=1S/C19H18ClNO3S/c20-16-4-2-1-3-15(16)12-25-10-9-21-19(22)8-6-14-5-7-17-18(11-14)24-13-23-17/h1-8,11H,9-10,12-13H2,(H,21,22) |
| InChIK | JQGGVRWZJGBDBE-UHFFFAOYSA-N |
| TotalMolweight | 375.875 |
| Molweight | 375.875 |
| MonoisotopicMass | 375.069591 |
| CLogP | 4.1847 |
| CLogS | -5.694 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 283.18 |
| Relative PSA | 0.21891 |
| PolarSurfaceArea | 72.86 |
| Druglikeness | 0.46348 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]prop-2-enamide | 2 - (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]prop-2-enamide
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