2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
Formula:C19H21N4O4BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide |
| MolecularFormula | C19H21N4O4BrS |
| Smiles | O=C(CN(CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C19H21BrN4O4S/c20-16-5-7-18(8-6-16)29(26,27)24-12-10-23(11-13-24)15-19(25)22-21-9-1-3-17-4-2-14-28-17/h1-9,14H,10-13,15H2,(H,22,25) |
| InChIK | GHVYVPWFKOWURU-UHFFFAOYSA-N |
| TotalMolweight | 481.37 |
| Molweight | 481.37 |
| MonoisotopicMass | 480.046687 |
| CLogP | 1.9309 |
| CLogS | -2.999 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 326.29 |
| Relative PSA | 0.26296 |
| PolarSurfaceArea | 103.6 |
| Druglikeness | 6.76 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide | 2 - 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
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