Basic information
- Standard SMILES
O=c1c2c(Cl)cccc2nc(CSc2ncnc3[nH]cnc23)n1-c1ccccc1-c1ccccc1- InChIKey
VDOLSOHFRBGGER-UHFFFAOYSA-N- Molecular formula
- C26H17ClN6OS
- Average molar mass
- 497 g/mol
- Monoisotopic mass
- 496.0873081
Names & identifiers
- Preferred name
- 3-Biphenyl-2-yl-5-chloro-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one
- IUPAC
- 5-chloro-3-(2-phenylphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one
Names & synonyms
CHEMBL3326384SCHEMBL733513VDOLSOHFRBGGER-UHFFFAOYSA-NBDBM500549463-Biphenyl-2-yl-5-chloro-2-(9H-purin-6-ylsulfanyl-methyl)-3H-quinazolin-4-one3-Biphenyl-2-yl-5-chloro-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one
Database identifiers
- PubChem CID
- 10141582
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 794
Related reactions
10 records
Linked notes
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