Basic information
- Standard SMILES
COc1ncnc2sc(NC(=O)N3CCN(Cc4ccc(Cl)cc4S(C)(=O)=O)CC3)nc12- InChIKey
ROAJBDRIYBLNIG-UHFFFAOYSA-N- Molecular formula
- C19H21ClN6O4S2
- Average molar mass
- 497 g/mol
Names & identifiers
- Preferred name
- 4-(4-Chloro-2-methanesulfonyl-benzyl)-piperazine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
- IUPAC
- 4-[(4-chloro-2-methylsulfonylphenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperazine-1-carboxamide
Names & synonyms
SCHEMBL1761016ROAJBDRIYBLNIG-UHFFFAOYSA-N4-(4-chloro-2-methanesulfonyl-benzyl)-piperazine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
Database identifiers
- PubChem CID
- 24831719
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 763
Related reactions
2 records
Compound notes
Loading…