5-Boc-N-(3-bromo-2-chlorophenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide - CAS 2170210-40-7
Catalog: |
BB017097 |
Product Name: |
5-Boc-N-(3-bromo-2-chlorophenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide |
CAS: |
2170210-40-7 |
Synonyms: |
2-[(3-bromo-2-chloroanilino)-oxomethyl]-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-5-carboxylic acid tert-butyl ester; tert-butyl 2-[(3-bromo-2-chlorophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate |
IUPAC Name: | tert-butyl 2-[(3-bromo-2-chlorophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate |
Description: | 5-Boc-N-(3-bromo-2-chlorophenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide (CAS# 2170210-40-7 ) is a useful research chemical. |
Molecular Weight: | 472.78 |
Molecular Formula: | C18H19BrClN3O3S |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=N2)C(=O)NC3=C(C(=CC=C3)Br)Cl |
InChI: | InChI=1S/C18H19BrClN3O3S/c1-18(2,3)26-17(25)23-8-7-11-13(9-23)27-16(22-11)15(24)21-12-6-4-5-10(19)14(12)20/h4-6H,7-9H2,1-3H3,(H,21,24) |
InChI Key: | ZKAHJQDDNLLCLY-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2017281285-A1 | Heterocyclic compounds as immunomodulators | 20160620 |
CA-3028685-A1 | Heterocyclic compounds as immunomodulators | 20160620 |
EP-3472167-A1 | Heterocyclic compounds as immunomodulators | 20160620 |
JP-2019523231-A | Heterocyclic compounds as immunomodulators | 20160620 |
US-2017362253-A1 | Heterocyclic compounds as immunomodulators | 20160620 |
Complexity: | 577 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 471.0019 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 471.0019 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 99.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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