1,1-Dimethylethyl 7-(aminocarbonyl)-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate

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Basic information

CAS: 149354-04-1
Standard SMILES: CC(C)(C)OC(=O)N1CCc2ccc(C(N)=O)cc2CC1
InChIKey: QSLLYEVQJNQBBX-UHFFFAOYSA-N
Molecular formula: C16H22N2O3
Average molar mass: 290.36 g/mol
Monoisotopic mass: 290.16304257

Names & identifiers

Preferred name: 1,1-Dimethylethyl 7-(aminocarbonyl)-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate
IUPAC: tert-butyl 7-carbamoyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Names & synonyms

149354-04-1SCHEMBL9052660DTXSID4011280471,1-Dimethylethyl 7-(aminocarbonyl)-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylatetert-Butyl 7-carbamoyl-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate

Database identifiers

CAS: 149354-04-1
PubChem CID: 53397013
DTXSID: DTXSID401128047

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 403

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