Basic information
- Standard SMILES
CC(CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC(N)=O)CC1- InChIKey
IZFWMRJXELVSOY-UHFFFAOYSA-N- Molecular formula
- C28H34FN3O4
- Average molar mass
- 495.6 g/mol
Names & identifiers
- Preferred name
- {{8-[5-(4-Fluorophenyl)-2-pentyl]-10-hydroxy-5,5-dimethyl-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridin-2-yl}acetyl}urea
- IUPAC
- N-carbamoyl-2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]acetamide
Names & synonyms
CHEMBL96261SCHEMBL11542167IZFWMRJXELVSOY-UHFFFAOYSA-N{{8-[5-(4-Fluorophenyl)-2-pentyl]-10-hydroxy-5,5-dimethyl-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridin-2-yl}acetyl}urea
Database identifiers
- PubChem CID
- 44327286
- ChEMBL
CHEMBL96261
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 839
Related reactions
4 records
Compound notes
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