Basic information
- Standard SMILES
CCc1ncc(-c2cccc3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CO3)cn1- InChIKey
SQSHDMQIVWTQKJ-VWLOTQADSA-N- Molecular formula
- C29H29N3O
- Average molar mass
- 435.6 g/mol
- Monoisotopic mass
- 435.23106256
Names & identifiers
- Preferred name
- (3S)-N,N-dibenzyl-5-(2-ethylpyrimidin-5-yl)chroman-3-amine
- IUPAC
- (3S)-N,N-dibenzyl-5-(2-ethylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-amine
Names & synonyms
SCHEMBL840774SQSHDMQIVWTQKJ-VWLOTQADSA-N(3S)-N,N-dibenzyl-5-(2-ethylpyrimidin-5-yl)chroman-3-amine
Database identifiers
- PubChem CID
- 25115366
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 545
Related reactions
1 records
Compound notes
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