(1R,2S)-1-{[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino}-2,3-dihydro-1H-inden-2-ol

HCID 58583246
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Basic information

Standard SMILES
CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1O
InChIKey
GQPITAIWQNLKFV-RBBKRZOGSA-N
Molecular formula
C23H23Cl2N3O
Average molar mass
428.4 g/mol
Monoisotopic mass
427.1218178

Names & identifiers

Preferred name
(1R,2S)-1-{[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino}-2,3-dihydro-1H-inden-2-ol
IUPAC
(1R,2S)-1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol

Names & synonyms

SCHEMBL3841607GQPITAIWQNLKFV-RBBKRZOGSA-N(1R,2S)-1-{[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino}-2,3-dihydro-1H-inden-2-ol

Database identifiers

PubChem CID
58583246

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
58 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
29

Related reactions

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Compound notes

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