(3Z)-3-[(4-chlorophenyl)methylidene]-4-phenyl-1H-1,5-benzodiazepin-2-one
Formula:C22H15N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(4-chlorophenyl)methylidene]-4-phenyl-1H-1,5-benzodiazepin-2-one is a drug-like molecule.
| MolName | (3Z)-3-[(4-chlorophenyl)methylidene]-4-phenyl-1H-1,5-benzodiazepin-2-one |
| MolecularFormula | C22H15N2OCl |
| Smiles | O=C1Nc(cccc2)c2N=C(c2ccccc2)/C1=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H15ClN2O/c23-17-12-10-15(11-13-17)14-18-21(16-6-2-1-3-7-16)24-19-8-4-5-9-20(19)25-22(18)26/h1-14H,(H,25,26) |
| InChIK | DWLFLKZIKHSHFX-UHFFFAOYSA-N |
| TotalMolweight | 358.827 |
| Molweight | 358.827 |
| MonoisotopicMass | 358.08729 |
| CLogP | 4.3801 |
| CLogS | -5.806 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 271.59 |
| Relative PSA | 0.13259 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.1199 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (3Z)-3-[(4-chlorophenyl)methylidene]-4-phenyl-1H-1,5-benzodiazepin-2-one | 2 - (3Z)-3-[(4-chlorophenyl)methylidene]-4-phenyl-1H-1,5-benzodiazepin-2-one
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