tert-butyl (6SR,7RS)-6-(3,4-dichlorophenyl)-7-[({[2-(methoxycarbonyl)phenyl]carbamoyl}amino)methyl]-1,4-oxazepane-4-carboxylate

HCID 66976641
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Basic information

Standard SMILES
COC(=O)c1ccccc1NC(=O)NCC1OCCN(C(=O)OC(C)(C)C)CC1c1ccc(Cl)c(Cl)c1
InChIKey
WOERXYAKNXEHNM-UHFFFAOYSA-N
Molecular formula
C26H31Cl2N3O6
Average molar mass
552.4 g/mol
Monoisotopic mass
551.1589911

Names & identifiers

Preferred name
tert-butyl (6SR,7RS)-6-(3,4-dichlorophenyl)-7-[({[2-(methoxycarbonyl)phenyl]carbamoyl}amino)methyl]-1,4-oxazepane-4-carboxylate
IUPAC
tert-butyl 6-(3,4-dichlorophenyl)-7-[[(2-methoxycarbonylphenyl)carbamoylamino]methyl]-1,4-oxazepane-4-carboxylate

Names & synonyms

SCHEMBL1281437WOERXYAKNXEHNM-UHFFFAOYSA-Ntert-butyl (6SR,7RS)-6-(3,4-dichlorophenyl)-7-[({[2-(methoxycarbonyl)phenyl]carbamoyl}amino)methyl]-1,4-oxazepane-4-carboxylate

Database identifiers

PubChem CID
66976641

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
106 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
37

Related reactions

2 records
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Compound notes

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