(E)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one
Formula:C19H19N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one |
| MolecularFormula | C19H19N2O3ClS |
| Smiles | O=C(/C=C/Sc1ccccc1)N1CC(COc(cc2)ncc2Cl)OCC1 |
| InChI | InChI=1S/C19H19ClN2O3S/c20-15-6-7-18(21-12-15)25-14-16-13-22(9-10-24-16)19(23)8-11-26-17-4-2-1-3-5-17/h1-8,11-12,16H,9-10,13-14H2/t16-/m1/s1 |
| InChIK | VVSKZDWKPWHFBS-MRXNPFEDSA-N |
| TotalMolweight | 390.89 |
| Molweight | 390.89 |
| MonoisotopicMass | 390.08049 |
| CLogP | 3.0095 |
| CLogS | -3.878 |
| H Acceptors | 5 |
| TotalSurfaceArea | 293.28 |
| Relative PSA | 0.2218 |
| PolarSurfaceArea | 76.96 |
| Druglikeness | 3.196 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (E)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one | 2 - (E)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one
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