Basic information
- CAS
300586-64-5- Standard SMILES
COc1ccc(C2C3=C(Nc4ncnn42)c2ccccc2OC3c2ccccc2)cc1- InChIKey
GLOLAXUGTAMTBZ-UHFFFAOYSA-N- Molecular formula
- C25H20N4O2
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.15862589
Names & identifiers
- Preferred name
- 7-(4-methoxyphenyl)-6-phenyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
- IUPAC
- 11-(4-methoxyphenyl)-9-phenyl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
Names & synonyms
7-(4-methoxyphenyl)-6-phenyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidineNSC721070Oprea1_220408Oprea1_573831CHEMBL1982487STK010335AKOS000642341AKOS021999145CCG-109830NSC-721070NCI60_041470EU-0042659
Show more names
ST50005671SR-01000473173SR-01000473173-14-methoxy-1-(6-phenyl(7,8,12-trihydro-6H-chromeno[4,3-d]1,2,4-triazolo[1,5-a]p yrimidin-7-yl))benzene7-(4-methoxyphenyl)-6-phenyl-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidineMETHYL 4-(6-PHENYL-7,12-DIHYDRO-6H-CHROMENO[4,3-D][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL)PHENYL ETHER
Database identifiers
- CAS
300586-64-5- PubChem CID
- 404642
- ChEMBL
CHEMBL1982487- EC Number
- 164-516-9
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 670
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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