(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Formula:C17H9N3OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.
| MolName | (5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one |
| MolecularFormula | C17H9N3OCl2S |
| Smiles | O=C1n2nc(-c(cc3)ccc3Cl)nc2S/C1=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H9Cl2N3OS/c18-12-5-1-10(2-6-12)9-14-16(23)22-17(24-14)20-15(21-22)11-3-7-13(19)8-4-11/h1-9H |
| InChIK | ZARXZKOQOLPUFV-UHFFFAOYSA-N |
| TotalMolweight | 374.25 |
| Molweight | 374.25 |
| MonoisotopicMass | 372.984336 |
| CLogP | 4.5674 |
| CLogS | -7.022 |
| H Acceptors | 4 |
| TotalSurfaceArea | 256.79 |
| Relative PSA | 0.23108 |
| PolarSurfaceArea | 73.08 |
| Druglikeness | 4.4557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| 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 - (5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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