(R)-2-(3,5-Dichloro-4'-fluoro-biphenyl-4-ylmethyl)-4-[(S)-(4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]-butyric acid
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Basic information
- Standard SMILES
O=C(O)[C@@H](CCN[C@H]1CCc2[nH]ncc2C1)Cc1c(Cl)cc(-c2ccc(F)cc2)cc1Cl- InChIKey
DHCQEIGDGKXZEK-KXBFYZLASA-N- Molecular formula
- C24H24Cl2FN3O2
- Average molar mass
- 476.4 g/mol
- Monoisotopic mass
- 475.1229606
Names & identifiers
- Preferred name
- (R)-2-(3,5-Dichloro-4'-fluoro-biphenyl-4-ylmethyl)-4-[(S)-(4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]-butyric acid
- IUPAC
- (2R)-2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-4-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]butanoic acid
Names & synonyms
SCHEMBL2207363DHCQEIGDGKXZEK-KXBFYZLASA-N(R)-2-(3,5-Dichloro-4'-fluoro-biphenyl-4-ylmethyl)-4-[(S)-(4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]-butyric acid
Database identifiers
- PubChem CID
- 24762811
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 610
Related reactions
1 records
Compound notes
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