Basic information
- Standard SMILES
CCOc1ccc(S(=O)(=O)Cl)cc1-c1nc2c(C3CCCC3)nc(C)n2c(=O)[nH]1- InChIKey
DWPQSJDEIOBCMM-UHFFFAOYSA-N- Molecular formula
- C19H21ClN4O4S
- Average molar mass
- 436.9 g/mol
Names & identifiers
- Preferred name
- 4-Ethoxy-3-(8-cyclopentyl-6-methyl-4-oxo-3,4-dihydro-imidazol[1,5-a][1,3,5]-triazin-2-yl)-benzenesulfonyl chloride
- IUPAC
- 3-(8-cyclopentyl-6-methyl-4-oxo-3H-imidazo[1,5-a][1,3,5]triazin-2-yl)-4-ethoxybenzenesulfonyl chloride
Names & synonyms
SCHEMBL5891225DWPQSJDEIOBCMM-UHFFFAOYSA-N4-ethoxy-3-(8-cyclopentyl-6-methyl-4-oxo-3,4-dihydro-imidazol[1,5-a][1,3,5]-triazin-2-yl)-benzenesulfonyl chloride4-Ethoxy-3-(8-cyclopentyl-6-methyl-4-oxo-3,4-dihydro-imidazol[1,5-alpha][1,3,5]-triazin-2-yl)-benzenesulfonyl chloride
Database identifiers
- PubChem CID
- 135723515
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 765
Related reactions
2 records
Linked notes
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