Basic information
- Standard SMILES
CCOC(=O)C1CCN(C(=O)N(Cc2cccc(C(=O)Nc3sc4c(c3C(=O)Nc3ccc(CCCc5ccc(C(=O)OC)cc5)cc3)CCCC4)c2)C(C)C)CC1- InChIKey
WKOQJRKZBHAGKB-UHFFFAOYSA-N- Molecular formula
- C46H54N4O7S
- Average molar mass
- 807 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-{isopropyl[3-({3-[(4-{3-[4-(methoxycarbonyl)phenyl]propyl}phenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)benzyl]carbamoyl}piperidine-4-carboxylate
- IUPAC
- ethyl 1-[[3-[[3-[[4-[3-(4-methoxycarbonylphenyl)propyl]phenyl]carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]phenyl]methyl-propan-2-ylcarbamoyl]piperidine-4-carboxylate
Names & synonyms
SCHEMBL15987474WKOQJRKZBHAGKB-UHFFFAOYSA-Nethyl 1-{isopropyl[3-({3-[(4-{3-[4-(methoxycarbonyl)phenyl]propyl}phenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)benzyl]carbamoyl}piperidine-4-carboxylate
Database identifiers
- PubChem CID
- 90370183
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,370
Related reactions
1 records
Compound notes
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