Basic information
- CAS
470456-21-4- Standard SMILES
CC(=O)c1c(C)nc2sc3c(-n4nc(C)cc4C)nc(C)nc3c2c1-c1ccc(Cl)cc1- InChIKey
GZNCJBZDPRQRAL-UHFFFAOYSA-N- Molecular formula
- C24H20ClN5OS
- Average molar mass
- 462 g/mol
Names & identifiers
- Preferred name
- CID 4395280
- IUPAC
- 1-[13-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4,11-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]ethanone
- English name
- 1-[9-(4-chlorophenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-2,7-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]ethanone
- Molecular formula
- C24H20ClN5OS
- Molecular weight
- 461.9665
Names & synonyms
AO-799/408423701-[13-(4-Chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4,11-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-12-yl]ethanone1-[9-(4-chlorophenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-2,7-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]ethanone
Database identifiers
- CAS
470456-21-4
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 706
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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