Basic information
- Standard SMILES
CC(=O)Nc1ncc(-c2ccc3c(c2)CN(C(=O)OC(C)(C)C)CCO3)s1- InChIKey
IHYQGCIITCSBNC-UHFFFAOYSA-N- Molecular formula
- C19H23N3O4S
- Average molar mass
- 389.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl 7-[2-(acetylamino)-1,3-thiazol-5-yl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate
- IUPAC
- tert-butyl 7-(2-acetamido-1,3-thiazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
Names & synonyms
SCHEMBL857325IHYQGCIITCSBNC-UHFFFAOYSA-N1,1-dimethylethyl 7-[2-(acetylamino)-1,3-thiazol-5-yl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate1,1-dimethylethyl 7-[2-(acetylamino)-1,3-thiazole-5-yl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylatetert-butyl 7-[2-(acetylamino)-1,3-thiazol-5-yl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate
Database identifiers
- PubChem CID
- 59604271
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 554
Related reactions
4 records
Compound notes
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