5-[1-(4-chlorophenyl)-1H-tetraazol-5-yl]-4-(2-methylphenyl)-2-(1-pyrrolidinyl)pyrimidine
Basic information
- CAS
923556-13-2- Standard SMILES
Cc1ccccc1-c1nc(N2CCCC2)ncc1-c1nnnn1-c1ccc(Cl)cc1- InChIKey
OUTCWNOLUCAOMS-UHFFFAOYSA-N- Molecular formula
- C22H20ClN7
- Average molar mass
- 417.9 g/mol
Names & identifiers
- Preferred name
- 5-[1-(4-chlorophenyl)-1H-tetraazol-5-yl]-4-(2-methylphenyl)-2-(1-pyrrolidinyl)pyrimidine
- IUPAC
- 5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(2-methylphenyl)-2-pyrrolidin-1-ylpyrimidine
- English name
- 5-[1-(4-chlorophenyl)-1H-tetraazol-5-yl]-4-(2-methylphenyl)-2-(1-pyrrolidinyl)pyrimidine
- Molecular formula
- C22H20ClN7
- Molecular weight
- 417.8941
Names & synonyms
5-[1-(4-chlorophenyl)-1H-tetraazol-5-yl]-4-(2-methylphenyl)-2-(1-pyrrolidinyl)pyrimidineAG-401/43303085AKOS024386172ST510370525-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(2-methylphenyl)-2-pyrrolidin-1-ylpyrimidine1-(4-chlorophenyl)-5-[4-(2-methylphenyl)-2-pyrrolidinylpyrimidin-5-yl]-1,2,3,4 -tetraazole
Database identifiers
- CAS
923556-13-2
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 552
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Compound notes
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