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Basic information
- Standard SMILES
CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(OCc3cccnc3)ccc2n1Cc1ccc(Cl)cc1- InChIKey
PMILILYBLOWZIM-UHFFFAOYSA-N- Molecular formula
- C32H37ClN2O3S
- Average molar mass
- 565.2 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-[1-(p-chlorobenzyl)-3-(1,1-dimethylethylthio)-5-(pyrid-3-ylmethoxy)indol-2-yl]-2,2-dimethylpropionate
- IUPAC
- ethyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(pyridin-3-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoate
Names & synonyms
SCHEMBL9304834PMILILYBLOWZIM-UHFFFAOYSA-Nethyl 3-[1-(4-chlorobenzyl)-3-(1,1-dimethylethylthio)-5-(pyrid-3-ylmethoxy)indol-2-yl]-2,2-dimethylpropionateethyl 3-[1-(p-chlorobenzyl)-3-(1,1-dimethylethylthio)-5-(pyrid-3-ylmethoxy)indol-2-yl]-2,2-dimethylpropionate
Database identifiers
- PubChem CID
- 19098331
Properties
Computed structural propertiesFilling in
- XLogP
- 7.5
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 782
Related reactions
3 records
Compound notes
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