(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Formula:C17H11N3OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.
| MolName | (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one |
| MolecularFormula | C17H11N3OCl2S |
| Smiles | O=C1N2NC(c3ccccc3)=NC2S/C1=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C17H11Cl2N3OS/c18-12-7-6-11(13(19)9-12)8-14-16(23)22-17(24-14)20-15(21-22)10-4-2-1-3-5-10/h1-9,17H,(H,20,21)/t17-/m0/s1 |
| InChIK | AMMYNATZMJNXEO-KRWDZBQOSA-N |
| TotalMolweight | 376.266 |
| Molweight | 376.266 |
| MonoisotopicMass | 374.999986 |
| CLogP | 3.4553 |
| CLogS | -5.531 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 254.04 |
| Relative PSA | 0.22457 |
| PolarSurfaceArea | 70 |
| Druglikeness | 4.0498 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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