Basic information
- CAS
133518-37-3- Standard SMILES
CC(C)c1ccc(NC(=O)N(C)C)cc1.COC(=O)c1ccc(C)cc1C1=NC(C)(C(C)C)C(=O)N1- InChIKey
BIOUZYVPVWWNJY-UHFFFAOYSA-N- Molecular formula
- C28H38N4O4
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.28930571
Names & identifiers
- Preferred name
- Methyl (methyl 3-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-2-thiophenecarboxylate
- IUPAC
- 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;methyl 4-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate
Names & synonyms
133518-37-3Methyl (methyl 3-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-2-thiophenecarboxylateDTXSID20928171Methyl 4-methyl-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]benzoate--N,N-dimethyl-N'-[4-(propan-2-yl)phenyl]urea (1/1)
Database identifiers
- CAS
133518-37-3- PubChem CID
- 179221
- DTXSID
DTXSID20928171
Properties
Computed structural properties
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 678
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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