(8E)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine
Formula:C20H15N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(8E)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine is a drug-like molecule.
| MolName | (8E)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine |
| MolecularFormula | C20H15N3OCl2 |
| Smiles | Nc1nc(/C(/COC2)=C\c3cc(Cl)ccc3)c2c(-c2cccc(Cl)c2)n1 |
| InChI | InChI=1S/C20H15Cl2N3O/c21-15-5-1-3-12(8-15)7-14-10-26-11-17-18(24-20(23)25-19(14)17)13-4-2-6-16(22)9-13/h1-9H,10-11H2,(H2,23,24,25) |
| InChIK | CJHQPXUERTZCAI-UHFFFAOYSA-N |
| TotalMolweight | 384.265 |
| Molweight | 384.265 |
| MonoisotopicMass | 383.059216 |
| CLogP | 3.9109 |
| CLogS | -5.956 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 278.39 |
| Relative PSA | 0.16958 |
| PolarSurfaceArea | 61.03 |
| Druglikeness | -2.355 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (8E)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine | 2 - (8E)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine
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