(7Z)-7-[(5-bromo-2-hydroxyphenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one
Formula:C24H16N3O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7Z)-7-[(5-bromo-2-hydroxyphenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one is not a drug-like molecule.
| MolName | (7Z)-7-[(5-bromo-2-hydroxyphenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one |
| MolecularFormula | C24H16N3O2BrS |
| Smiles | Oc(cc1)c(/C=C(/C(N2C3c4ccccc4)=O)\SC2=NN=C3c2ccccc2)cc1Br |
| InChI | InChI=1S/C24H16BrN3O2S/c25-18-11-12-19(29)17(13-18)14-20-23(30)28-22(16-9-5-2-6-10-16)21(26-27-24(28)31-20)15-7-3-1-4-8-15/h1-14,22,29H/t22-/m0/s1 |
| InChIK | UGGQAGYREGGASL-QFIPXVFZSA-N |
| TotalMolweight | 490.38 |
| Molweight | 490.38 |
| MonoisotopicMass | 489.014658 |
| CLogP | 6.4752 |
| CLogS | -6.817 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 319.45 |
| Relative PSA | 0.21975 |
| PolarSurfaceArea | 90.56 |
| Druglikeness | 2.8138 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (7Z)-7-[(5-bromo-2-hydroxyphenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one | 2 - (7Z)-7-[(5-bromo-2-hydroxyphenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one
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