(5Z)-2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Formula:C15H8N3O2BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
(5Z)-2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.
| MolName | (5Z)-2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one |
| MolecularFormula | C15H8N3O2BrS |
| Smiles | O=C1n2nc(-c(cccc3)c3Br)nc2S/C1=C\c1ccco1 |
| InChI | InChI=1S/C15H8BrN3O2S/c16-11-6-2-1-5-10(11)13-17-15-19(18-13)14(20)12(22-15)8-9-4-3-7-21-9/h1-8H |
| InChIK | WZWIBFRELVHJMP-UHFFFAOYSA-N |
| TotalMolweight | 374.218 |
| Molweight | 374.218 |
| MonoisotopicMass | 372.952058 |
| CLogP | 3.2693 |
| CLogS | -6.066 |
| H Acceptors | 5 |
| TotalSurfaceArea | 234.27 |
| Relative PSA | 0.31353 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | 2.29 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (5Z)-2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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