Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCc2cc(-c3ccsc3)ccc2C1- InChIKey
NLDKIUQJHFGKML-UHFFFAOYSA-N- Molecular formula
- C18H21NO2S
- Average molar mass
- 315.4 g/mol
Names & identifiers
- Preferred name
- 6-Thiophen-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 6-thiophen-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Names & synonyms
SCHEMBL6293378NLDKIUQJHFGKML-UHFFFAOYSA-NDB-433624tert-butyl 6-(thiophen-3-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate6-Thiophen-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester300553-50-8
Database identifiers
- PubChem CID
- 69734195
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 406
Related reactions
6 records
Compound notes
Loading…