Basic information
- Standard SMILES
COc1nc(-c2cccc3c2c(C)cn3S(=O)(=O)c2ccc(C)cc2)nc2c1CNCC2- InChIKey
CZSOITWACFYGLJ-UHFFFAOYSA-N- Molecular formula
- C24H24N4O3S
- Average molar mass
- 448.5 g/mol
Names & identifiers
- Preferred name
- 4-methoxy-2-(3-methyl-1-tosyl-1H-indol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
- IUPAC
- 4-methoxy-2-[3-methyl-1-(4-methylphenyl)sulfonylindol-4-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Names & synonyms
SCHEMBL14662889CZSOITWACFYGLJ-UHFFFAOYSA-N4-methoxy-2-(3-methyl-1-tosyl-1H-indol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Database identifiers
- PubChem CID
- 71240480
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 751
Related reactions
2 records
Compound notes
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