[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C19H20N2O6S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C19H20N2O6S |
| Smiles | O=C(COC(/C=C/c1ccco1)=O)N(CC1)CCN1S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C19H20N2O6S/c22-18(15-27-19(23)9-8-16-5-4-14-26-16)20-10-12-21(13-11-20)28(24,25)17-6-2-1-3-7-17/h1-9,14H,10-13,15H2 |
| InChIK | CXZGDXFXCIQYCN-UHFFFAOYSA-N |
| TotalMolweight | 404.442 |
| Molweight | 404.442 |
| MonoisotopicMass | 404.104208 |
| CLogP | 1.3881 |
| CLogS | -1.731 |
| H Acceptors | 8 |
| TotalSurfaceArea | 299.19 |
| Relative PSA | 0.28701 |
| PolarSurfaceArea | 105.51 |
| Druglikeness | -2.2863 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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