Basic information
- Standard SMILES
CC(=O)OCCOc1ccc(C(=O)c2ccc(CSc3nc4cccc(C)c4c(=O)n3C)cc2)cc1- InChIKey
ADRLBAIOQQQLGV-UHFFFAOYSA-N- Molecular formula
- C28H26N2O5S
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.15624311
Names & identifiers
- Preferred name
- 2-[4-[4-(2-Acetoxyethoxy)benzoyl]benzylthio]-3,5-dimethyl-4(3H)-quinazolinone
- IUPAC
- 2-[4-[4-[(3,5-dimethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoyl]phenoxy]ethyl acetate
Names & synonyms
SCHEMBL7015489ADRLBAIOQQQLGV-UHFFFAOYSA-N2-[4-[4-(2-acetoxyethoxy)benzoyl]-benzylthio]-3,5-dimethyl-4(3H)-quinazolinone2-[4-[4-(2-Acetoxyethoxy)benzoyl]benzylthio]-3,5-dimethyl-4(3H)-quinazolinone
Database identifiers
- PubChem CID
- 18919084
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 817
Related reactions
4 records
Compound notes
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