Basic information
- Standard SMILES
CCOC(=O)c1nc(N2CCc3cccc(C(=O)N(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1Br- InChIKey
SDBBUWUIHKEZFW-UHFFFAOYSA-N- Molecular formula
- C29H33BrN4O4S2Si
- Average molar mass
- 673.7 g/mol
- Monoisotopic mass
- 672.08959
Names & identifiers
- Preferred name
- ethyl 2-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-bromothiazole-4-carboxylate
- IUPAC
- ethyl 2-[8-[1,3-benzothiazol-2-yl(2-trimethylsilylethoxymethyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-bromo-1,3-thiazole-4-carboxylate
Names & synonyms
SCHEMBL2505031SDBBUWUIHKEZFW-UHFFFAOYSA-Nethyl 2-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-bromothiazole-4-carboxylate
Database identifiers
- PubChem CID
- 59447650
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 917
Related reactions
7 records
Compound notes
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