(E)-2-(4-bromophenyl)sulfonyl-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enenitrile
Formula:C18H16N3O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(4-bromophenyl)sulfonyl-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(4-bromophenyl)sulfonyl-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enenitrile |
| MolecularFormula | C18H16N3O4BrS |
| Smiles | N#C/C(/S(c(cc1)ccc1Br)(=O)=O)=C\N(CC1)CCN1C(c1ccco1)=O |
| InChI | InChI=1S/C18H16BrN3O4S/c19-14-3-5-15(6-4-14)27(24,25)16(12-20)13-21-7-9-22(10-8-21)18(23)17-2-1-11-26-17/h1-6,11,13H,7-10H2 |
| InChIK | FNEVRVHRKQHUTO-UHFFFAOYSA-N |
| TotalMolweight | 450.312 |
| Molweight | 450.312 |
| MonoisotopicMass | 449.004488 |
| CLogP | 1.6308 |
| CLogS | -3.857 |
| H Acceptors | 7 |
| TotalSurfaceArea | 296.23 |
| Relative PSA | 0.25787 |
| PolarSurfaceArea | 103 |
| Druglikeness | 0.55722 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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