Basic information
- Standard SMILES
O=[S@@]1CCc2nc(N3CCN(c4ccc(Cl)cc4)CC3)nc(Cl)c21- InChIKey
DKAYYBWNTDNIBJ-XMMPIXPASA-N- Molecular formula
- C16H16Cl2N4OS
- Average molar mass
- 383.3 g/mol
Names & identifiers
- Preferred name
- (R)-4-chloro-2-[4-(4-chloro-phenyl)-piperazin-1-yl]-6,7-dihydro-thieno[3,2-d]pyrimidine-5-oxide
- IUPAC
- (5R)-4-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
Names & synonyms
DKAYYBWNTDNIBJ-XMMPIXPASA-N(R)-4-Chloro-2-[4-(4-chloro-phenyl)-piperazin-1-yl]-6,7-dihydro-thieno[3,2-d]pyrimidine 5-oxide(R)-4-chloro-2-[4-(4-chloro-phenyl)-piperazin-1-yl]-6,7-dihydro-thieno[3,2-d]pyrimidine-5-oxide
Database identifiers
- PubChem CID
- 86645100
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 469
Related reactions
3 records
Linked notes
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