trans-7-Chloro-5-(2-chlorophenyl)-3-(3-cyanophenylaminocarbonylmethyl)-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine

HCID 69946147
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Basic information

Standard SMILES
CC(C)(C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(C#N)c2)O[C@H](c2ccccc2Cl)c2cc(Cl)ccc21
InChIKey
VJVYZFHAKCGVMD-XNMGPUDCSA-N
Molecular formula
C29H27Cl2N3O3
Average molar mass
536.4 g/mol

Names & identifiers

Preferred name
trans-7-Chloro-5-(2-chlorophenyl)-3-(3-cyanophenylaminocarbonylmethyl)-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine
IUPAC
2-[(3R,5S)-7-chloro-5-(2-chlorophenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-N-(3-cyanophenyl)acetamide

Names & synonyms

SCHEMBL6955037VJVYZFHAKCGVMD-XNMGPUDCSA-Ntrans-7-chloro-5-(2-chlorophenyl)-3-(3-cyanophenylaminocarbonylmethyl)-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine

Database identifiers

PubChem CID
69946147

Properties

Computed structural properties

XLogP
6
Topological polar surface area
82.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

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