Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC1CCC(C(=O)N(c2ccsc2C(=O)O)C2CCC(O)CC2)CC1- InChIKey
CCFPXCANXFKCOE-UHFFFAOYSA-N- Molecular formula
- C19H27NO4S
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.16607952
Names & identifiers
- Preferred name
- 3-[(trans-4-Hydroxy-cyclohexyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid
- IUPAC
- 3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
Names & synonyms
SCHEMBL1077272SCHEMBL2106809CCFPXCANXFKCOE-KTSLABGISA-N3-[(trans-4-hydroxy-cyclohexyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid
Database identifiers
- PubChem CID
- 57795475
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 484
Related reactions
1 records
Compound notes
Loading…