Basic information
- Standard SMILES
CN(C(=O)Cc1ccc(F)cc1F)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1- InChIKey
VCVSRLREMYZFND-MRXNPFEDSA-N- Molecular formula
- C23H22F2N2O3
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.15984889
Names & identifiers
- Preferred name
- {(7R)-7-[[(2,4-difluorophenyl)acetyl] (methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl}acetic acid
- IUPAC
- 2-[(7R)-7-[[2-(2,4-difluorophenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
Names & synonyms
CHEMBL1778513SCHEMBL2186870VCVSRLREMYZFND-MRXNPFEDSA-NBDBM50344175(R)-2-(7-(2-(2,4-difluorophenyl)-N-methylacetamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid{(7R)-7-[[(2,4-difluorophenyl)acetyl] (methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl}acetic acid
Database identifiers
- PubChem CID
- 54584673
- ChEMBL
CHEMBL1778513
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 648
Related reactions
1 records
Compound notes
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