(E)-3-phenylsulfanyl-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
Formula:C22H21N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-3-phenylsulfanyl-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-phenylsulfanyl-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one |
| MolecularFormula | C22H21N3O3S |
| Smiles | O=C(/C=C/Sc1ccccc1)N1CC(COc2ncnc3ccccc23)OCC1 |
| InChI | InChI=1S/C22H21N3O3S/c26-21(10-13-29-18-6-2-1-3-7-18)25-11-12-27-17(14-25)15-28-22-19-8-4-5-9-20(19)23-16-24-22/h1-10,13,16-17H,11-12,14-15H2/t17-/m1/s1 |
| InChIK | FRPIYFMZFAKGPQ-QGZVFWFLSA-N |
| TotalMolweight | 407.493 |
| Molweight | 407.493 |
| MonoisotopicMass | 407.130362 |
| CLogP | 3.1581 |
| CLogS | -4.434 |
| H Acceptors | 6 |
| TotalSurfaceArea | 311.22 |
| Relative PSA | 0.24426 |
| PolarSurfaceArea | 89.85 |
| Druglikeness | 3.1441 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
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