Basic information
- Standard SMILES
Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12- InChIKey
DMWYQXADRYJCSG-UHFFFAOYSA-N- Molecular formula
- C25H17Cl2N7O
- Average molar mass
- 502.4 g/mol
- Monoisotopic mass
- 501.0871636
Names & identifiers
- Preferred name
- (+/-)-5-(3-chlorophenyl)-alpha-(4-chlorophenyl)-alpha-(1-methyl-1H-imidazol-5-yl)tetrazolo[1,5-a]quinazoline-7-methanol
- IUPAC
- (4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanol
Names & synonyms
SCHEMBL1683566DMWYQXADRYJCSG-UHFFFAOYSA-N(+/-)-5-(3-chlorophenyl)-alpha-(4-chlorophenyl)-alpha-(1-methyl-1H-imidazol-5-yl)tetrazolo[1,5-a]quinazoline-7-methanol
Database identifiers
- PubChem CID
- 9870665
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 743
Related reactions
2 records
Compound notes
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