7-(3,4-Dichlorophenyl)-2-methylsulfanyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
Basic information
- CAS
883800-15-5- Standard SMILES
CSc1nc2n(n1)C(c1ccc(Cl)c(Cl)c1)C=C(c1ccccc1)N2- InChIKey
UXAOVIYHPXGCHQ-UHFFFAOYSA-N- Molecular formula
- C18H14Cl2N4S
- Average molar mass
- 389.3 g/mol
- Monoisotopic mass
- 388.031623
Names & identifiers
- Preferred name
- 7-(3,4-Dichlorophenyl)-2-methylsulfanyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
- IUPAC
- 7-(3,4-dichlorophenyl)-2-methylsulfanyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
Names & synonyms
AKOS024422766ST512456447-(3,4-DI-CL-PH)-2-(METHYLTHIO)-5-PH-4,7-DIHYDRO(1,2,4)TRIAZOLO(1,5-A)PYRIMIDINE7-(3,4-dichlorophenyl)-2-methylsulfanyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
Database identifiers
- CAS
883800-15-5- PubChem CID
- 4149003
- EC Number
- 104-787-2
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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