2-amino-N-(4-bromophenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Basic information
- CAS
312948-97-3- Standard SMILES
CC1CCc2c(sc(N)c2C(=O)Nc2ccc(Br)cc2)C1- InChIKey
KRWOCNPJYAQAAR-UHFFFAOYSA-N- Molecular formula
- C16H17BrN2OS
- Average molar mass
- 365.3 g/mol
- Monoisotopic mass
- 364.0245
Names & identifiers
- Preferred name
- 2-amino-N-(4-bromophenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- IUPAC
- 2-amino-N-(4-bromophenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Names & synonyms
2-amino-N-(4-bromophenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide312948-97-32-Amino-N-(4-bromophenyl)-4,5,6,7-tetrahydro-6-methylbenzo[b]thiophene-3-carboxamideDTXSID801128887STK004065AKOS000514516AKOS021992065CCG-107229ST015636EU-0005620SR-01000439776SR-01000439776-1
Show more names
(2-amino-6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl))-N-(4-bromophenyl)c arboxamide
Database identifiers
- CAS
312948-97-3- PubChem CID
- 2860465
- DTXSID
DTXSID801128887
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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