Basic information
- Standard SMILES
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2[C@H](C)O)n1- InChIKey
MGSBZMYABLCAOB-LBPRGKRZSA-N- Molecular formula
- C21H24N8O
- Average molar mass
- 404.5 g/mol
Names & identifiers
- Preferred name
- (S)-1-(3-methyl-1-(2-methyl-6-(3-(1-methyl-1H-benzo[d]imidazol-2-yl)azetidin-1-yl)pyrimidin-4-yl)-1H-1,2,4-triazol-5-yl)ethanol
- IUPAC
- (1S)-1-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethanol
Names & synonyms
SCHEMBL15728710MGSBZMYABLCAOB-LBPRGKRZSA-N(S)-1-(3-methyl-1-(2-methyl-6-(3-(1-methyl-1H-benzo[d]imidazol-2-yl)azetidin-1-yl)pyrimidin-4-yl)-1H-1,2,4-triazol-5-yl)ethanol
Database identifiers
- PubChem CID
- 74767261
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 604
Related reactions
1 records
Compound notes
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