Basic information
- Standard SMILES
COc1cc(C)c(S(=O)(=O)N(C)Cc2nnc(C(=O)N(C)CCc3ccc(C4=NCCN4)cc3)o2)c(C)c1- InChIKey
VUHPESKOPHIOSQ-UHFFFAOYSA-N- Molecular formula
- C26H32N6O5S
- Average molar mass
- 540.6 g/mol
- Monoisotopic mass
- 540.21548932
Names & identifiers
- Preferred name
- N-{2-[4-(4,5-Dihydro-1H-imidazol-2-yl)phenyl]ethyl}-5-({[(4-methoxy-2,6-dimethylphenyl)sulfonyl](methyl)amino}methyl)-N-methyl-1,3,4-oxadiazole-2-carboxamide
- IUPAC
- N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide
Names & synonyms
SCHEMBL2239037VUHPESKOPHIOSQ-UHFFFAOYSA-NN-{2-[4-(4,5-Dihydro-1H-imidazol-2-yl)phenyl]ethyl}-5-({[(4-methoxy-2,6-dimethylphenyl)sulfonyl](methyl)amino}methyl)-N-methyl-1,3,4-oxadiazole-2-carboxamide
Database identifiers
- PubChem CID
- 58393293
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 923
Related reactions
1 records
Compound notes
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