Basic information
- Standard SMILES
CC(C)(C)C1CCC(NC(=O)c2ccc(Oc3cc4c(cc3Cl)C(C(=O)O)CCO4)cc2)CC1- InChIKey
KCLHUHUYVJRBPK-UHFFFAOYSA-N- Molecular formula
- C27H32ClNO5
- Average molar mass
- 486 g/mol
- Monoisotopic mass
- 485.1969008
Names & identifiers
- Preferred name
- 7-(4-(4-Tert-butylcyclohexylcarbamoyl)phenoxy)-6-chlorochroman-4-carboxylic acid
- IUPAC
- 7-[4-[(4-tert-butylcyclohexyl)carbamoyl]phenoxy]-6-chloro-3,4-dihydro-2H-chromene-4-carboxylic acid
Names & synonyms
7-(4-(4-tert-butylcyclohexylcarbamoyl)phenoxy)-6-chlorochroman-4-carboxylic acidSCHEMBL1571334CHEMBL5775085KCLHUHUYVJRBPK-UHFFFAOYSA-NBDBM233339US9556139, 156
Database identifiers
- PubChem CID
- 44601023
- ChEMBL
CHEMBL5775085
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 708
Related reactions
4 records
Compound notes
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