2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C21H20N3O4BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C21H20N3O4BrS |
| Smiles | O=C(CN(CCc1ccccc1)S(c(cc1)ccc1Br)(=O)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C21H20BrN3O4S/c22-18-8-10-20(11-9-18)30(27,28)25(13-12-17-5-2-1-3-6-17)16-21(26)24-23-15-19-7-4-14-29-19/h1-11,14-15H,12-13,16H2,(H,24,26) |
| InChIK | DZWKUINLKHTMFZ-UHFFFAOYSA-N |
| TotalMolweight | 490.377 |
| Molweight | 490.377 |
| MonoisotopicMass | 489.035788 |
| CLogP | 3.8272 |
| CLogS | -4.573 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 335.23 |
| Relative PSA | 0.24535 |
| PolarSurfaceArea | 100.36 |
| Druglikeness | 5.3396 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide | 2 - 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
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