Basic information
- Standard SMILES
O=c1n(-c2ccc(Br)cc2Cl)c2c(Cl)c3nccn3cc2n1S(=O)(=O)C1CC1- InChIKey
DEGRLTZMVLJYNO-UHFFFAOYSA-N- Molecular formula
- C17H11BrCl2N4O3S
- Average molar mass
- 502.2 g/mol
Names & identifiers
- Preferred name
- 3-(4-Bromo-2-chlorophenyl)-4-chloro-1-(cyclopropylsulfonyl)-1h-diimidazo[1,2-a:4',5'-d]pyridin-2(3h)-one
- IUPAC
- 6-(4-bromo-2-chlorophenyl)-8-chloro-4-cyclopropylsulfonyl-1,4,6,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-5-one
Names & synonyms
SCHEMBL1343780DEGRLTZMVLJYNO-UHFFFAOYSA-N3-(4-bromo-2-chlorophenyl)-4-chloro-1-(cyclopropylsulfonyl)-1h-diimidazo[1,2-a:4',5'-d]pyridin-2(3h)-one
Database identifiers
- PubChem CID
- 59519476
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 764
Related reactions
1 records
Compound notes
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