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Basic information
- Standard SMILES
COCOC1CCC(N(C(=O)C2CCC(C)CC2)c2cc(C3=CCC(C)(C)CC3)sc2C(=O)OC)CC1- InChIKey
XHDJCEAGKSIJBB-UHFFFAOYSA-N- Molecular formula
- C30H45NO5S
- Average molar mass
- 531.7 g/mol
- Monoisotopic mass
- 531.30184471
Names & identifiers
- Preferred name
- 5-(4,4-Dimethyl-cyclohex-1-enyl)-3-[(trans-4-methoxymethoxy-cyclohexyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-(4,4-dimethylcyclohexen-1-yl)-3-[[4-(methoxymethoxy)cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate
Names & synonyms
SCHEMBL2105467SCHEMBL2105468XHDJCEAGKSIJBB-MLRKGSHFSA-N5-(4,4-dimethyl-cyclohex-1-enyl)-3-[(trans-4-methoxymethoxy-cyclohexyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 57795508
Properties
Computed structural propertiesFilling in
- XLogP
- 7
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 813
Related reactions
1 records
Compound notes
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