Basic information
- Standard SMILES
N#Cc1cc2c(cc1Oc1ccc(C(=O)NC3Cc4ccccc4C3)cc1)OCCC2C(=O)O- InChIKey
IQMMKHWRYBHBSV-UHFFFAOYSA-N- Molecular formula
- C27H22N2O5
- Average molar mass
- 454.5 g/mol
Names & identifiers
- Preferred name
- 7-(4-((2,3-dihydro-1H-inden-2-yl)carbamoyl) phenoxy)-6-cyano-3,4-dihydro-2H-chromene-4-carboxylic acid
- IUPAC
- 6-cyano-7-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid
Names & synonyms
SCHEMBL1571213CHEMBL5838067IQMMKHWRYBHBSV-UHFFFAOYSA-NBDBM230038US9556139, 66-Cyano-7-(4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)phenoxy)chroman-4-carboxylic acid7-(4-((2,3-dihydro-1H-inden-2-yl)carbamoyl) phenoxy)-6-cyano-3,4-dihydro-2H-chromene-4-carboxylic acid7-(4-((2,3-dihydro-1H-inden-2-yl)carbamoyl)phenoxy)-6-cyano-3,4-dihydro-2H-chromene-4-carboxylic acid
Database identifiers
- PubChem CID
- 44599103
- ChEMBL
CHEMBL5838067
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 786
Related reactions
4 records
Compound notes
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