(2Z)-4-[(2-fluorophenyl)methyl]-2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-1,4-benzoxazin-3-one
Formula:C33H27N3O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-4-[(2-fluorophenyl)methyl]-2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-1,4-benzoxazin-3-one is not a drug-like molecule.
| MolName | (2Z)-4-[(2-fluorophenyl)methyl]-2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-1,4-benzoxazin-3-one |
| MolecularFormula | C33H27N3O3F2 |
| Smiles | O=C(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cccc3)c3F)C2=O)cc1)N(CC1)CCN1c(cc1)ccc1F |
| InChI | InChI=1S/C33H27F2N3O3/c34-26-13-15-27(16-14-26)36-17-19-37(20-18-36)32(39)24-11-9-23(10-12-24)21-31-33(40)38(22-25-5-1-2-6-28(25)35)29-7-3-4-8-30(29)41-31/h1-16,21H,17-20,22H2 |
| InChIK | IYCVGFYEFMLURF-UHFFFAOYSA-N |
| TotalMolweight | 551.591 |
| Molweight | 551.591 |
| MonoisotopicMass | 551.202048 |
| CLogP | 5.7628 |
| CLogS | -6.784 |
| H Acceptors | 6 |
| TotalSurfaceArea | 408.15 |
| Relative PSA | 0.11449 |
| PolarSurfaceArea | 53.09 |
| Druglikeness | 5.603 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56098 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (2Z)-4-[(2-fluorophenyl)methyl]-2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-1,4-benzoxazin-3-one | 2 - (2Z)-4-[(2-fluorophenyl)methyl]-2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-1,4-benzoxazin-3-one
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