Basic information
- Standard SMILES
COC(=O)CCS(=O)(=O)NCc1csc(NC(=O)Nc2ccc(C)cc2C(=O)C2CCCC2)n1- InChIKey
BQHHTQWKHIYXEP-UHFFFAOYSA-N- Molecular formula
- C22H28N4O6S2
- Average molar mass
- 508.6 g/mol
- Monoisotopic mass
- 508.14502697
Names & identifiers
- Preferred name
- 3-({2-[3-(2-Cyclopentanecarbonyl-4-methyl-phenyl)-ureido]-thiazol-4-ylmethyl}-sulfamoyl)-propionic acid methyl ester
- IUPAC
- methyl 3-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfamoyl]propanoate
Names & synonyms
SCHEMBL1340840BQHHTQWKHIYXEP-UHFFFAOYSA-N3-({2-[3-(2-Cyclopentanecarbonyl-4-methyl-phenyl)-ureido]-thiazol-4-ylmethyl}-sulfamoyl)-propionic acid methyl ester3-({2-[3-(2-Cyclopentanecarbonyl-4-methyl-phenyl)-ureido]-thiazol-4-ylmethyl}-sulfamoyl)-propionic acid metyl ester
Database identifiers
- PubChem CID
- 59732833
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 828
Related reactions
6 records
Compound notes
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