Basic information
- Standard SMILES
C[C@@H]1CN(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
JVVQAABMLSWGHG-GOSISDBHSA-N- Molecular formula
- C25H27ClN6O4S
- Average molar mass
- 543 g/mol
Names & identifiers
- Preferred name
- (R)-6-benzyl-2-chloro-4-(3-methyl-4-((2-nitrophenyl)sulfonyl)piperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
- IUPAC
- 6-benzyl-2-chloro-4-[(3R)-3-methyl-4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
Names & synonyms
SCHEMBL14671863JVVQAABMLSWGHG-GOSISDBHSA-N(R)-6-benzyl-2-chloro-4-(3-methyl-4-((2-nitrophenyl)sulfonyl)piperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Database identifiers
- PubChem CID
- 86690263
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 895
Related reactions
1 records
Compound notes
Loading…