1-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-quinazolin-4-yloxyethanone
Formula:C30H24N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
1-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-quinazolin-4-yloxyethanone is not a drug-like molecule.
| MolName | 1-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-quinazolin-4-yloxyethanone |
| MolecularFormula | C30H24N4O2Cl2 |
| Smiles | O=C(COc1ncnc2ccccc12)N(C(C1CCC2)c(cc3)ccc3Cl)N=C1/C2=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C30H24Cl2N4O2/c31-22-12-8-19(9-13-22)16-21-4-3-6-25-28(21)35-36(29(25)20-10-14-23(32)15-11-20)27(37)17-38-30-24-5-1-2-7-26(24)33-18-34-30/h1-2,5,7-16,18,25,29H,3-4,6,17H2 |
| InChIK | VYTANQLYDCIHFS-UHFFFAOYSA-N |
| TotalMolweight | 543.453 |
| Molweight | 543.453 |
| MonoisotopicMass | 542.12763 |
| CLogP | 6.7485 |
| CLogS | -7.846 |
| H Acceptors | 6 |
| TotalSurfaceArea | 394.51 |
| Relative PSA | 0.15219 |
| PolarSurfaceArea | 67.68 |
| Druglikeness | 0.71541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 1-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-quinazolin-4-yloxyethanone | 2 - 1-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-quinazolin-4-yloxyethanone
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