(E)-N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylethenesulfonamide
Formula:C26H24N2O3Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylethenesulfonamide is not a drug-like molecule.
| MolName | (E)-N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylethenesulfonamide |
| MolecularFormula | C26H24N2O3Cl2S2 |
| Smiles | O=C(CN(C1CC1)S(/C=C/c1ccccc1)(=O)=O)N(CCc1c2ccs1)C2c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C26H24Cl2N2O3S2/c27-19-6-9-21(23(28)16-19)26-22-11-14-34-24(22)10-13-29(26)25(31)17-30(20-7-8-20)35(32,33)15-12-18-4-2-1-3-5-18/h1-6,9,11-12,14-16,20,26H,7-8,10,13,17H2/t26-/m1/s1 |
| InChIK | FFFDRDVGOMSEPC-AREMUKBSSA-N |
| TotalMolweight | 547.526 |
| Molweight | 547.526 |
| MonoisotopicMass | 546.060537 |
| CLogP | 6.0047 |
| CLogS | -6.768 |
| H Acceptors | 5 |
| TotalSurfaceArea | 379.79 |
| Relative PSA | 0.18189 |
| PolarSurfaceArea | 94.31 |
| Druglikeness | 6.1468 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylethenesulfonamide | 2 - (E)-N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylethenesulfonamide
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