Basic information
- Standard SMILES
OC1Cc2ccccc2C1Nc1nc(C2CC2)c(Br)nc1C1CC1- InChIKey
GSABIMXOTPHQAJ-UHFFFAOYSA-N- Molecular formula
- C19H20BrN3O
- Average molar mass
- 386.3 g/mol
- Monoisotopic mass
- 385.07897
Names & identifiers
- Preferred name
- 1-[(5-bromo-3,6-dicyclopropylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
- IUPAC
- 1-[(5-bromo-3,6-dicyclopropylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
Names & synonyms
SCHEMBL6670594
Database identifiers
- PubChem CID
- 22147358
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 470
Related reactions
1 records
Compound notes
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