6-iodo-3-(2-phenylethyl)-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one
Formula:C22H17N2OIS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-iodo-3-(2-phenylethyl)-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 6-iodo-3-(2-phenylethyl)-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one |
| MolecularFormula | C22H17N2OIS |
| Smiles | O=C1N(CCc2ccccc2)C(/C=C/c2cccs2)=Nc(cc2)c1cc2I |
| InChI | InChI=1S/C22H17IN2OS/c23-17-8-10-20-19(15-17)22(26)25(13-12-16-5-2-1-3-6-16)21(24-20)11-9-18-7-4-14-27-18/h1-11,14-15H,12-13H2 |
| InChIK | ORYSINIXFBCMCI-UHFFFAOYSA-N |
| TotalMolweight | 484.356 |
| Molweight | 484.356 |
| MonoisotopicMass | 484.010631 |
| CLogP | 4.9668 |
| CLogS | -5.674 |
| H Acceptors | 3 |
| TotalSurfaceArea | 306.54 |
| Relative PSA | 0.15809 |
| PolarSurfaceArea | 60.91 |
| Druglikeness | 5.4262 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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