Basic information
- CAS
923556-40-5- Standard SMILES
CC(C)c1ncc(-c2nnnn2-c2ccccc2)c(-c2ccc(Cl)c(Cl)c2)n1- InChIKey
QEIKONHVEXBRJN-UHFFFAOYSA-N- Molecular formula
- C20H16Cl2N6
- Average molar mass
- 411.3 g/mol
Names & identifiers
- Preferred name
- 4-(3,4-dichlorophenyl)-2-isopropyl-5-(1-phenyl-1H-tetraazol-5-yl)pyrimidine
- IUPAC
- 4-(3,4-dichlorophenyl)-5-(1-phenyltetrazol-5-yl)-2-propan-2-ylpyrimidine
- English name
- 4-(3,4-dichlorophenyl)-2-isopropyl-5-(1-phenyl-1H-tetraazol-5-yl)pyrimidine
- Molecular formula
- C20H16Cl2N6
- Molecular weight
- 411.28724
Names & synonyms
4-(3,4-dichlorophenyl)-2-isopropyl-5-(1-phenyl-1H-tetraazol-5-yl)pyrimidineAG-401/433031034-(3,4-dichlorophenyl)-5-(1-phenyltetrazol-5-yl)-2-propan-2-ylpyrimidine
Database identifiers
- CAS
923556-40-5
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 503
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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