Basic information
- Standard SMILES
CC(=O)C1=NN(c2ccc(Br)cc2)C2(S1)c1ccccc1C(c1ccc(Cl)cc1)=NN2c1ccccc1- InChIKey
QSYWXBZJZUIQJS-UHFFFAOYSA-N- Molecular formula
- C29H20BrClN4OS
- Average molar mass
- 587.9 g/mol
- Monoisotopic mass
- 586.02297
Names & identifiers
- Preferred name
- 1-(3'-(4-Bromophenyl)-4-(4-chlorophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone
- IUPAC
- 1-[4-(4-bromophenyl)-4'-(4-chlorophenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-yl]ethanone
Names & synonyms
1-(3'-(4-Bromophenyl)-4-(4-chlorophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone1-[4-(4-bromophenyl)-4'-(4-chlorophenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-yl]ethanone1-[3'-(4-bromophenyl)-4-(4-chlorophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanoneChemDiv1_025117HMS658F15QSYWXBZJZUIQJS-UHFFFAOYSA-NDTXSID001370599STK663385AKOS001712732AKOS022013616ST45300699Ethanone, 1-[3'-(4-bromophenyl)-4-(4-chlorophenyl)-2-phenylspiro[phthalazine-1(2H),2'(3'H)-[1,3,4]thiadiazol]-5'-yl]-
Database identifiers
- PubChem CID
- 3987458
- DTXSID
DTXSID001370599
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 910
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…