Basic information
- Standard SMILES
CCOC(=O)C1(CCCn2c(=O)ccc3ccc(OC)cc32)CCN(CCSc2ccccc2)CC1- InChIKey
BYLMXHXDYYRFDJ-UHFFFAOYSA-N- Molecular formula
- C29H36N2O4S
- Average molar mass
- 508.7 g/mol
Names & identifiers
- Preferred name
- ethyl 4-(3-(7-methoxy-2-oxoquinolin-1(2H)-yl)propyl)-1-(2-(phenylthio)ethyl)piperidine-4-carboxylate
- IUPAC
- ethyl 4-[3-(7-methoxy-2-oxoquinolin-1-yl)propyl]-1-(2-phenylsulfanylethyl)piperidine-4-carboxylate
Names & synonyms
SCHEMBL2797883BYLMXHXDYYRFDJ-UHFFFAOYSA-Nethyl 4-(3-(7-methoxy-2-oxoquinolin-1(2H)-yl)propyl)-1-(2-(phenylthio)ethyl)piperidine-4-carboxylate
Database identifiers
- PubChem CID
- 59397952
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 746
Related reactions
6 records
Compound notes
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