Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC/C=C/c1cnc(N)c2c(Br)csc12- InChIKey
PWUAFNJAAZGBOD-SNAWJCMRSA-N- Molecular formula
- C15H18BrN3O2S
- Average molar mass
- 384.3 g/mol
Names & identifiers
- Preferred name
- Tert-butyl (2e)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-2-propenylcarbamate
- IUPAC
- tert-butyl N-[(E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)prop-2-enyl]carbamate
Names & synonyms
PWUAFNJAAZGBOD-SNAWJCMRSA-Ntert-butyl (2e)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-2-propenylcarbamatetert-butyl(2e)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-2-propenylcarbamate
Database identifiers
- PubChem CID
- 131726331
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 428
Related reactions
2 records
Compound notes
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