(8E)-4-(3-bromophenyl)-8-[(3-bromophenyl)methylidene]-1,3,4,5-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione
Formula:C20H16N2Br2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(8E)-4-(3-bromophenyl)-8-[(3-bromophenyl)methylidene]-1,3,4,5-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione is not a drug-like molecule.
| MolName | (8E)-4-(3-bromophenyl)-8-[(3-bromophenyl)methylidene]-1,3,4,5-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione |
| MolecularFormula | C20H16N2Br2S2 |
| Smiles | S=C1NC(/C(/CSC2)=C\c3cccc(Br)c3)=C2C(c2cc(Br)ccc2)N1 |
| InChI | InChI=1S/C20H16Br2N2S2/c21-15-5-1-3-12(8-15)7-14-10-26-11-17-18(23-20(25)24-19(14)17)13-4-2-6-16(22)9-13/h1-9,18H,10-11H2,(H2,23,24,25)/t18-/m0/s1 |
| InChIK | NTJIFUIDTXOVKI-SFHVURJKSA-N |
| TotalMolweight | 508.301 |
| Molweight | 508.301 |
| MonoisotopicMass | 505.91216 |
| CLogP | 5.3423 |
| CLogS | -6.313 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 304.05 |
| Relative PSA | 0.225 |
| PolarSurfaceArea | 81.45 |
| Druglikeness | -0.54873 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (8E)-4-(3-bromophenyl)-8-[(3-bromophenyl)methylidene]-1,3,4,5-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione | 2 - (8E)-4-(3-bromophenyl)-8-[(3-bromophenyl)methylidene]-1,3,4,5-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione
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