Ethyl 3-(3-(tert-butylthio)-5-methoxy-1H-indol-2-yl)-2,2-dimethylpropanoate - CAS 1431697-75-4
Catalog: |
BB065474 |
Product Name: |
Ethyl 3-(3-(tert-butylthio)-5-methoxy-1H-indol-2-yl)-2,2-dimethylpropanoate |
CAS: |
1431697-75-4 |
Synonyms: |
ethyl 3-(3-(tert-butylthio)-5-methoxy-1H-indol-2-yl)-2,2-dimethylpropanoate; ethyl 3-(3-tert-butylsulfanyl-5-methoxy-1H-indol-2-yl)-2,2-dimethylpropanoate; ethyl3-(3-(tert-butylthio)-5-methoxy-1H-indol-2-yl)-2,2-dimethylpropanoate |
IUPAC Name: | ethyl 3-(3-tert-butylsulfanyl-5-methoxy-1H-indol-2-yl)-2,2-dimethylpropanoate |
Molecular Weight: | 363.51 |
Molecular Formula: | C20H29NO3S |
Canonical SMILES: | CCOC(=O)C(C)(C)CC1=C(C2=C(N1)C=CC(=C2)OC)SC(C)(C)C |
InChI: | InChI=1S/C20H29NO3S/c1-8-24-18(22)20(5,6)12-16-17(25-19(2,3)4)14-11-13(23-7)9-10-15(14)21-16/h9-11,21H,8,12H2,1-7H3 |
InChI Key: | PUIGUCRKZKFDCB-UHFFFAOYSA-N |
Complexity: | 460 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 363.18681496 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 363.18681496 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 76.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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