1-[2-(3-{5-[3-cyano-4-(2-methylpropyl)phenyl]-1,2,4-thiadiazol-3-yl}-2-ethylphenyl)ethyl]-L-proline
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Basic information
- Standard SMILES
CCc1c(CCN2CCC[C@H]2C(=O)O)cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1- InChIKey
XGSZSDVGEDCWIR-VWLOTQADSA-N- Molecular formula
- C28H32N4O2S
- Average molar mass
- 488.6 g/mol
- Monoisotopic mass
- 488.22459745
Names & identifiers
- Preferred name
- 1-[2-(3-{5-[3-cyano-4-(2-methylpropyl)phenyl]-1,2,4-thiadiazol-3-yl}-2-ethylphenyl)ethyl]-L-proline
- IUPAC
- (2S)-1-[2-[3-[5-[3-cyano-4-(2-methylpropyl)phenyl]-1,2,4-thiadiazol-3-yl]-2-ethylphenyl]ethyl]pyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL1293221XGSZSDVGEDCWIR-VWLOTQADSA-N1-[2-(3-{5-[3-cyano-4-(2-methylpropyl)phenyl]-1,2,4-thiadiazol-3-yl}-2-ethylphenyl)ethyl]-L-proline
Database identifiers
- PubChem CID
- 54578464
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 754
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Related reactions
1 records
Compound notes
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