(6Z)-6-[(4-bromophenyl)methylidene]-3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Formula:C17H9N3OBrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(6Z)-6-[(4-bromophenyl)methylidene]-3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is a drug-like molecule.
| MolName | (6Z)-6-[(4-bromophenyl)methylidene]-3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one |
| MolecularFormula | C17H9N3OBrClS |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2Br)n2c1nnc2-c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H9BrClN3OS/c18-12-5-1-10(2-6-12)9-14-16(23)22-15(20-21-17(22)24-14)11-3-7-13(19)8-4-11/h1-9H |
| InChIK | BHVGCCYDUINRRN-UHFFFAOYSA-N |
| TotalMolweight | 418.701 |
| Molweight | 418.701 |
| MonoisotopicMass | 416.93382 |
| CLogP | 4.6507 |
| CLogS | -6.589 |
| H Acceptors | 4 |
| TotalSurfaceArea | 260 |
| Relative PSA | 0.22823 |
| PolarSurfaceArea | 73.08 |
| Druglikeness | 2.4555 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (6Z)-6-[(4-bromophenyl)methylidene]-3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one | 2 - (6Z)-6-[(4-bromophenyl)methylidene]-3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
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