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Basic information
- Standard SMILES
Cn1cnnc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12- InChIKey
CEORJASOMOHUEG-UHFFFAOYSA-N- Molecular formula
- C24H17Cl2N9
- Average molar mass
- 502.4 g/mol
- Monoisotopic mass
- 501.098397
Names & identifiers
- Preferred name
- 5-(3-chlorophenyl)-alpha-(4-chlorophenyl)-alpha-(4-methyl-4H-1,2,4-triazol-3-yl)-tetrazolo[1,5-a]quinazoline-7-methanamine
- IUPAC
- (4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(4-methyl-1,2,4-triazol-3-yl)methanamine
Names & synonyms
SCHEMBL5655368CEORJASOMOHUEG-UHFFFAOYSA-N5-(3-chlorophenyl)-alpha-(4-chlorophenyl)-alpha-(4-methyl-4H-1,2,4-triazol-3-yl)-tetrazolo[1,5-a]quinazoline-7-methanamine
Database identifiers
- PubChem CID
- 21082001
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 740
Related reactions
2 records
Compound notes
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