Basic information
- Standard SMILES
COc1nc(-c2c(C)ccc3c2cnn3S(=O)(=O)c2ccc(C)cc2)nc2c1CN(Cc1ccccc1)CC2- InChIKey
SQERNYGWSDOULO-UHFFFAOYSA-N- Molecular formula
- C30H29N5O3S
- Average molar mass
- 539.6 g/mol
Names & identifiers
- Preferred name
- 6-benzyl-4-methoxy-2-(5-methyl-1-tosyl-1H-indazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
- IUPAC
- 6-benzyl-4-methoxy-2-[5-methyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
Names & synonyms
SCHEMBL14663050SQERNYGWSDOULO-UHFFFAOYSA-N6-benzyl-4-methoxy-2-(5-methyl-1-tosyl-1H-indazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Database identifiers
- PubChem CID
- 71240600
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 916
Related reactions
2 records
Compound notes
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