(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1-(3,4-dichlorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Formula:C27H15N2O3BrCl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1-(3,4-dichlorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.
| MolName | (5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1-(3,4-dichlorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| MolecularFormula | C27H15N2O3BrCl2S |
| Smiles | O=C(/C(/C(N1c(cc2)cc(Cl)c2Cl)=O)=C/c2ccc(-c(cc3)ccc3Br)o2)N(c2ccccc2)C1=S |
| InChI | InChI=1S/C27H15BrCl2N2O3S/c28-17-8-6-16(7-9-17)24-13-11-20(35-24)15-21-25(33)31(18-4-2-1-3-5-18)27(36)32(26(21)34)19-10-12-22(29)23(30)14-19/h1-15H |
| InChIK | KNSXYDUHMDLLKC-UHFFFAOYSA-N |
| TotalMolweight | 598.303 |
| Molweight | 598.303 |
| MonoisotopicMass | 595.936378 |
| CLogP | 7.1401 |
| CLogS | -9.22 |
| H Acceptors | 5 |
| TotalSurfaceArea | 391.72 |
| Relative PSA | 0.1922 |
| PolarSurfaceArea | 85.85 |
| Druglikeness | 1.9681 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB; thio-amide/urea |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1-(3,4-dichlorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1-(3,4-dichlorophenyl)-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
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