(6Z)-3-benzyl-6-[(4-chlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Formula:C18H12N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-3-benzyl-6-[(4-chlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is a drug-like molecule.
| MolName | (6Z)-3-benzyl-6-[(4-chlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one |
| MolecularFormula | C18H12N3OClS |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2Cl)n2c1nnc2Cc1ccccc1 |
| InChI | InChI=1S/C18H12ClN3OS/c19-14-8-6-13(7-9-14)10-15-17(23)22-16(20-21-18(22)24-15)11-12-4-2-1-3-5-12/h1-10H,11H2 |
| InChIK | UCTSCSWMNZHLBE-UHFFFAOYSA-N |
| TotalMolweight | 353.832 |
| Molweight | 353.832 |
| MonoisotopicMass | 353.038959 |
| CLogP | 3.9879 |
| CLogS | -4.605 |
| H Acceptors | 4 |
| TotalSurfaceArea | 255.13 |
| Relative PSA | 0.23259 |
| PolarSurfaceArea | 73.08 |
| Druglikeness | 4.3392 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (6Z)-3-benzyl-6-[(4-chlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one | 2 - (6Z)-3-benzyl-6-[(4-chlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
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