N-{[7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]methyl}-D-alanine
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)Oc1ccc(-c2nc(-c3cccc4c(CN[C@H](C)C(=O)O)c[nH]c34)no2)cc1Cl- InChIKey
UKSGGNSZMDJHFP-CYBMUJFWSA-N- Molecular formula
- C23H23ClN4O4
- Average molar mass
- 454.9 g/mol
Names & identifiers
- Preferred name
- N-{[7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]methyl}-D-alanine
- IUPAC
- (2R)-2-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methylamino]propanoic acid
Names & synonyms
SCHEMBL1609291UKSGGNSZMDJHFP-CYBMUJFWSA-NN-{[7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]methyl}-D-alanine
Database identifiers
- PubChem CID
- 44548411
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 641
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Related reactions
1 records
Compound notes
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