Basic information
- Standard SMILES
Cn1nnc2c(-c3nc(-c4ccc(Br)cc4)cs3)ncn2c1=O- InChIKey
YJDZWSLIRHTQLW-UHFFFAOYSA-N- Molecular formula
- C14H9BrN6OS
- Average molar mass
- 389.23 g/mol
- Monoisotopic mass
- 387.97419
Names & identifiers
- Preferred name
- 8-(4-(4-Bromophenyl)thiazol-2-yl)-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4(3H)-one
- IUPAC
- 8-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
Names & synonyms
SCHEMBL892003YJDZWSLIRHTQLW-UHFFFAOYSA-N8-(4-(4-Bromophenyl)thiazol-2-yl)-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4(3H)-one
Database identifiers
- PubChem CID
- 49870518
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 500
Related reactions
1 records
Compound notes
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