Basic information
- Standard SMILES
COCCNc1nc2ccc(C#CC(C)(O)c3nc(C)cs3)cc2n1-c1ccnc(N)n1- InChIKey
BMEXBBMXWSMYHC-UHFFFAOYSA-N- Molecular formula
- C22H23N7O2S
- Average molar mass
- 449.5 g/mol
Names & identifiers
- Preferred name
- 4-[1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-1,3-benzodiazol-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol
- IUPAC
- 4-[3-(2-aminopyrimidin-4-yl)-2-(2-methoxyethylamino)benzimidazol-5-yl]-2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol
Names & synonyms
SCHEMBL11970826BMEXBBMXWSMYHC-UHFFFAOYSA-N4-[1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-1,3-benzodiazol-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol
Database identifiers
- PubChem CID
- 68181780
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 702
Related reactions
1 records
Compound notes
Loading…