Basic information
- Standard SMILES
COc1cccc(CCCN(C(=O)Nc2ncc(SCC(=O)O)s2)C2CCC(C)CC2)c1- InChIKey
ONTFITZERCIUKA-UHFFFAOYSA-N- Molecular formula
- C23H31N3O4S2
- Average molar mass
- 477.6 g/mol
Names & identifiers
- Preferred name
- {2-[-3-[3-(3-Methoxy-phenyl)-propyl]-3-(4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid
- IUPAC
- 2-[[2-[[3-(3-methoxyphenyl)propyl-(4-methylcyclohexyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid
Names & synonyms
SCHEMBL2657303SCHEMBL2669489ONTFITZERCIUKA-UHFFFAOYSA-N{2-[-3-[3-(3-Methoxy-phenyl)-propyl]-3-(4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid
Database identifiers
- PubChem CID
- 24990799
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 604
Related reactions
3 records
Compound notes
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