Basic information
- Standard SMILES
Cn1[nH]c(=O)c2c1NC1=C(C(=O)COC1)C2c1ccc(Br)c(Cl)c1- InChIKey
QIISECAHUHYWAS-UHFFFAOYSA-N- Molecular formula
- C16H13BrClN3O3
- Average molar mass
- 410.6 g/mol
Names & identifiers
- Preferred name
- 4-(4-bromo-3-chlorophenyl)-1-methyl-1,2,4,9-tetrahydropyrano[3,4-b]pyrazolo[4,3-e]pyridine-3,5(6H,8H)-dione
- IUPAC
- 8-(4-bromo-3-chlorophenyl)-4-methyl-12-oxa-2,4,5-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10-dione
Names & synonyms
SCHEMBL6643402QIISECAHUHYWAS-UHFFFAOYSA-N4-(4-bromo-3-chlorophenyl)-1-methyl-1,2,4,9-tetrahydropyrano [3,4-b]pyrazolo [4,3-e]pyridine-3,5(6H,8H)-dione4-(4-bromo-3-chlorophenyl)-1-methyl-1,2,4,9-tetrahydropyrano[3,4-b]pyrazolo[4,3-e]pyridine-3,5(6H,8H)-dione
Database identifiers
- PubChem CID
- 10273010
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 677
Related reactions
2 records
Compound notes
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