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Basic information
- Standard SMILES
COC(=O)c1sc(C2=CCC(C)(C)CC2)cc1N(C(=O)C1CCC(C)CC1)C1CCC(O)CC1- InChIKey
TZWZECVZNWQKPF-UHFFFAOYSA-N- Molecular formula
- C28H41NO4S
- Average molar mass
- 487.7 g/mol
- Monoisotopic mass
- 487.27562996
Names & identifiers
- Preferred name
- 5-(4,4-Dimethyl-cyclohex-1-enyl)-3-[(trans-4-hydroxy-cyclohexyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-(4,4-dimethylcyclohexen-1-yl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate
Names & synonyms
SCHEMBL2105139SCHEMBL2105142SCHEMBL2107563TZWZECVZNWQKPF-XHPGVBHPSA-NTZWZECVZNWQKPF-ZULOPVSISA-N5-(4,4-dimethyl-cyclohex-1-enyl)-3-[(cis-4-hydroxy-cyclohexyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester5-(4,4-dimethyl-cyclohex-1-enyl)-3-[(trans-4-hydroxy-cyclohexyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 57795377
Properties
Computed structural propertiesFilling in
- XLogP
- 6.5
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 764
Related reactions
1 records
Compound notes
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