ethyl 2-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(4-iodobutyl)thiazole-4-carboxylate

HCID 59447633

Notes Reactions

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Basic information

Standard SMILES: CCOC(=O)c1nc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)sc1CCCCI
InChIKey: HAYRMDFLADVUGU-UHFFFAOYSA-N
Molecular formula: C27H27IN4O3S2
Average molar mass: 646.6 g/mol

Names & identifiers

Preferred name: ethyl 2-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(4-iodobutyl)thiazole-4-carboxylate
IUPAC: ethyl 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(4-iodobutyl)-1,3-thiazole-4-carboxylate

Names & synonyms

SCHEMBL2498173HAYRMDFLADVUGU-UHFFFAOYSA-Nethyl 2-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(4-iodobutyl)thiazole-4-carboxylate

Database identifiers

PubChem CID: 59447633

Properties

Computed structural properties

XLogP: 7.6
Topological polar surface area: 141 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 10
Heavy atoms: 37
Formal charge: 0
Complexity: 795

Related reactions

1 records

New reaction record

HRID 1518368As reactantuspto-grants-2012_07

Compound notes

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