Basic information
- Standard SMILES
CCc1nc(-c2ccc(OC)cc2Cl)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OC(C)=O- InChIKey
QNSFXRHZOOJYGQ-UKILVPOCSA-N- Molecular formula
- C26H28ClN3O3
- Average molar mass
- 466 g/mol
Names & identifiers
- Preferred name
- (1R,2S)-1-{[5-(2-chloro-4-methoxyphenyl)-3,6-diethylpyrazin-2-yl]amino}-2,3-dihydro-1H-inden-2-yl acetate
- IUPAC
- [(1R,2S)-1-[[5-(2-chloro-4-methoxyphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
Names & synonyms
SCHEMBL3843795QNSFXRHZOOJYGQ-UKILVPOCSA-N(1R,2S)-1-{[5-(2-chloro-4-methoxyphenyl)-3,6-diethylpyrazin-2-yl]amino}-2,3-dihydro-1H-inden-2-yl acetate
Database identifiers
- PubChem CID
- 10217232
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 652
Related reactions
2 records
Compound notes
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