1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-2-[(E)-2-phenylethenyl]sulfonylethanone
Formula:C20H21N2O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-2-[(E)-2-phenylethenyl]sulfonylethanone is a drug-like molecule.
| MolName | 1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-2-[(E)-2-phenylethenyl]sulfonylethanone |
| MolecularFormula | C20H21N2O5ClS |
| Smiles | O=C(CS(/C=C/c1ccccc1)(=O)=O)N1CC(COc(cc2)ncc2Cl)OCC1 |
| InChI | InChI=1S/C20H21ClN2O5S/c21-17-6-7-19(22-12-17)28-14-18-13-23(9-10-27-18)20(24)15-29(25,26)11-8-16-4-2-1-3-5-16/h1-8,11-12,18H,9-10,13-15H2/t18-/m1/s1 |
| InChIK | MQBOHMQQZFPUNQ-GOSISDBHSA-N |
| TotalMolweight | 436.915 |
| Molweight | 436.915 |
| MonoisotopicMass | 436.08597 |
| CLogP | 1.6428 |
| CLogS | -3.444 |
| H Acceptors | 7 |
| TotalSurfaceArea | 318.13 |
| Relative PSA | 0.23934 |
| PolarSurfaceArea | 94.18 |
| Druglikeness | 0.66581 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-2-[(E)-2-phenylethenyl]sulfonylethanone | 2 - 1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-2-[(E)-2-phenylethenyl]sulfonylethanone
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