2-[9-[4-[(4-bromophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
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Basic information
- CAS
501354-68-3- Standard SMILES
CC1(C)CC(=O)C2=C(C1)N(CC(=O)O)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(Br)cc2)cc1- InChIKey
GBMQXGQQFNIFSB-UHFFFAOYSA-N- Molecular formula
- C32H34BrNO5
- Average molar mass
- 592.5 g/mol
- Monoisotopic mass
- 591.16204
Names & identifiers
- Preferred name
- 2-[9-[4-[(4-bromophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
- IUPAC
- 2-[9-[4-[(4-bromophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
- English name
- (9-{4-[(4-bromobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-10(1H)-acridinyl)acetic acid
- Molecular formula
- C32H34BrNO5
- Molecular weight
- 592.52006
Names & synonyms
(9-{4-[(4-bromobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-10(1H)-acridinyl)acetic acidAN-988/40787453AKOS0002869902-[9-[4-[(4-bromophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
Database identifiers
- CAS
501354-68-3- PubChem CID
- 1003484
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
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Compound notes
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