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N-[(2R)-2-Hydroxypropyl]-4-{[(2-{[(1S)-2-(1H-imidazol-1-yl)-1-phenylethyl]oxy}-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)methyl]sulfanyl}benzamide

HCID 69735258
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C[C@@H](O)CNC(=O)c1ccc(SCc2c(O[C@H](Cn3ccnc3)c3ccccc3)ccc3c2CCCC3=O)cc1
InChIKey
XMRVXPGKQZMQPK-JPZYQRIQSA-N
Molecular formula
C32H33N3O4S
Average molar mass
555.7 g/mol

Names & identifiers

Preferred name
N-[(2R)-2-Hydroxypropyl]-4-{[(2-{[(1S)-2-(1H-imidazol-1-yl)-1-phenylethyl]oxy}-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)methyl]sulfanyl}benzamide
IUPAC
N-[(2R)-2-hydroxypropyl]-4-[[2-[(1S)-2-imidazol-1-yl-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzamide

Names & synonyms

SCHEMBL6299560XMRVXPGKQZMQPK-JPZYQRIQSA-NN-[(2R)-2-Hydroxypropyl]-4-{[(2-{[(1S)-2-(1H-imidazol-1-yl)-1-phenylethyl]oxy}-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)methyl]sulfanyl}benzamide

Database identifiers

PubChem CID
69735258

Properties

Computed structural propertiesFilling in

XLogP
4.3
Topological polar surface area
119 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
40
Formal charge
0
Complexity
816

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Related reactions

1 records
New reaction record
HRID 496467 reaction equation
HRID 496467As productuspto-grants-2005_09

Compound notes

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