tert-butyl 7-[2-(acetylamino)-1,3-thiazol-5-yl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

HCID 59604271

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

Related reactions

4 records

Compound notes

Loading…