trans-5-(4-Ethoxy-2-methoxyphenyl)-7-chloro-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetic acid

HCID 10140397
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Basic information

Standard SMILES
CCOc1ccc([C@H]2O[C@H](CC(=O)O)C(=O)N(CC(C)(C)C)c3ccc(Cl)cc32)c(OC)c1
InChIKey
ARHDATYUGGRDEW-FYYLOGMGSA-N
Molecular formula
C25H30ClNO6
Average molar mass
476 g/mol

Names & identifiers

Preferred name
trans-5-(4-Ethoxy-2-methoxyphenyl)-7-chloro-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetic acid
IUPAC
2-[(3R,5S)-7-chloro-1-(2,2-dimethylpropyl)-5-(4-ethoxy-2-methoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid

Names & synonyms

SCHEMBL4111108ARHDATYUGGRDEW-FYYLOGMGSA-Ntrans-5-(4-ethoxy-2-methoxyphenyl)-7-chloro-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetic acid

Database identifiers

PubChem CID
10140397

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
85.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
33

Related reactions

2 records
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Compound notes

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