(8E)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-1,3,4,5-tetrahydropyrano[4,3-d]pyrimidine-2-thione
Formula:C20H16N2OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(8E)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-1,3,4,5-tetrahydropyrano[4,3-d]pyrimidine-2-thione is a drug-like molecule.
| MolName | (8E)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-1,3,4,5-tetrahydropyrano[4,3-d]pyrimidine-2-thione |
| MolecularFormula | C20H16N2OCl2S |
| Smiles | S=C1NC(/C(/COC2)=C\c3cccc(Cl)c3)=C2C(c2cc(Cl)ccc2)N1 |
| InChI | InChI=1S/C20H16Cl2N2OS/c21-15-5-1-3-12(8-15)7-14-10-25-11-17-18(23-20(26)24-19(14)17)13-4-2-6-16(22)9-13/h1-9,18H,10-11H2,(H2,23,24,26)/t18-/m0/s1 |
| InChIK | MQCWZMBQLKKRLW-SFHVURJKSA-N |
| TotalMolweight | 403.332 |
| Molweight | 403.332 |
| MonoisotopicMass | 402.036037 |
| CLogP | 4.697 |
| CLogS | -5.431 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 290.14 |
| Relative PSA | 0.20997 |
| PolarSurfaceArea | 65.38 |
| Druglikeness | -0.92802 |
| 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-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-1,3,4,5-tetrahydropyrano[4,3-d]pyrimidine-2-thione | 2 - (8E)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-1,3,4,5-tetrahydropyrano[4,3-d]pyrimidine-2-thione
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