(5E)-9-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-7,8-dihydro-6H-[1,2,4]triazolo[5,1-b]quinazoline
Formula:C22H16N4Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(5E)-9-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-7,8-dihydro-6H-[1,2,4]triazolo[5,1-b]quinazoline is a drug-like molecule.
| MolName | (5E)-9-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-7,8-dihydro-6H-[1,2,4]triazolo[5,1-b]quinazoline |
| MolecularFormula | C22H16N4Cl2 |
| Smiles | Clc1c(/C=C2/c3nc4ncnn4c(-c(cccc4)c4Cl)c3CCC2)cccc1 |
| InChI | InChI=1S/C22H16Cl2N4/c23-18-10-3-1-6-14(18)12-15-7-5-9-17-20(15)27-22-25-13-26-28(22)21(17)16-8-2-4-11-19(16)24/h1-4,6,8,10-13H,5,7,9H2 |
| InChIK | UJPKRDZKWMNRMK-UHFFFAOYSA-N |
| TotalMolweight | 407.303 |
| Molweight | 407.303 |
| MonoisotopicMass | 406.0752 |
| CLogP | 4.9291 |
| CLogS | -5.06 |
| H Acceptors | 4 |
| TotalSurfaceArea | 297.64 |
| Relative PSA | 0.13728 |
| PolarSurfaceArea | 43.08 |
| Druglikeness | 1.547 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5E)-9-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-7,8-dihydro-6H-[1,2,4]triazolo[5,1-b]quinazoline | 2 - (5E)-9-(2-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-7,8-dihydro-6H-[1,2,4]triazolo[5,1-b]quinazoline
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