(S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-1-methyl-2-oxo-1,2,3,5,7,8-hexahydro-4-oxa-1,6-diaza-anthracene-6,7-dicarboxylic acid 6-tert-butyl ester

HCID 66922697
NotesReactions
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Basic information

Standard SMILES
CN1C(=O)[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)Oc2cc3c(cc21)CC(C(=O)O)N(C(=O)OC(C)(C)C)C3
InChIKey
QKSGEZAPDKRYGI-GPNIZQGCSA-N
Molecular formula
C31H30Cl2N2O7
Average molar mass
613.5 g/mol

Names & identifiers

Preferred name
(S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-1-methyl-2-oxo-1,2,3,5,7,8-hexahydro-4-oxa-1,6-diaza-anthracene-6,7-dicarboxylic acid 6-tert-butyl ester
IUPAC
(3S)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-1-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-8,9-dihydro-6H-pyrido[4,3-g][1,4]benzoxazine-8-carboxylic acid

Names & synonyms

SCHEMBL1151307QKSGEZAPDKRYGI-GPNIZQGCSA-N(S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-1-methyl-2-oxo-1,2,3,5,7,8-hexahydro-4-oxa-1,6-diaza-anthracene-6,7-dicarboxylic acid 6-tert-butyl ester

Database identifiers

PubChem CID
66922697

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
106 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
42

Related reactions

14 records
New reaction record

Compound notes

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