6-Carbethoxyaminobenzothieno[3,2-h]isoquinoline
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Basic information
- Standard SMILES
CCOC(=O)Nc1cc2ccncc2c2sc3ccccc3c12- InChIKey
CLOWSEZJOZTEPA-UHFFFAOYSA-N- Molecular formula
- C18H14N2O2S
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.07759887
Names & identifiers
- Preferred name
- 6-Carbethoxyaminobenzothieno[3,2-h]isoquinoline
- IUPAC
- ethyl N-([1]benzothiolo[3,2-h]isoquinolin-6-yl)carbamate
Names & synonyms
NSC177514SCHEMBL8698028CLOWSEZJOZTEPA-UHFFFAOYSA-NNSC-1775146-carbethoxyaminobenzothieno[3,2-h]isoquinoline
Database identifiers
- PubChem CID
- 301211
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 447
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Related reactions
3 records
Compound notes
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