8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline
Formula:C20H21N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline is a drug-like molecule.
| MolName | 8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline |
| MolecularFormula | C20H21N3O3S |
| Smiles | COc(cccc1)c1N(CC1)CCN1S(c1cccc2cccnc12)(=O)=O |
| InChI | InChI=1S/C20H21N3O3S/c1-26-18-9-3-2-8-17(18)22-12-14-23(15-13-22)27(24,25)19-10-4-6-16-7-5-11-21-20(16)19/h2-11H,12-15H2,1H3 |
| InChIK | APHFPWSPWDRGRT-UHFFFAOYSA-N |
| TotalMolweight | 383.471 |
| Molweight | 383.471 |
| MonoisotopicMass | 383.130362 |
| CLogP | 2.553 |
| CLogS | -2.893 |
| H Acceptors | 6 |
| TotalSurfaceArea | 279.36 |
| Relative PSA | 0.20278 |
| PolarSurfaceArea | 71.12 |
| Druglikeness | 5.2554 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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