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Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCCC3- InChIKey
CJMAOWKKSDIBGA-UHFFFAOYSA-N- Molecular formula
- C21H24N2O2S2
- Average molar mass
- 400.6 g/mol
Names & identifiers
- Preferred name
- t-butyl 3-amino-4-thiophen-2-yl-6,7,8,9-tetrahydro-5H-1-thia-10-aza-cyclohepta[f]indene-2-carboxylate
- IUPAC
- tert-butyl 6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate
Names & synonyms
SCHEMBL3166845CJMAOWKKSDIBGA-UHFFFAOYSA-Nt-butyl 3-amino-4-thiophen-2-yl-6,7,8,9-tetrahydro-5H-1-thia-10-aza-cyclohepta[f]indene-2-carboxylate
Database identifiers
- PubChem CID
- 11625499
Properties
Computed structural propertiesFilling in
- XLogP
- 6.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 553
Related reactions
1 records
Compound notes
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