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(3-{(S)-5-[5-Chloro-3-fluoro-2-(5-methyl-[1,2,4]oxadiazol-3-yl)-phenyl]-indan-1-ylcarbamoyl}-oxetan-3-yl)-carbamic acid 9H-fluoren-9-ylmethyl ester

HCID 68296802
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CC[C@@H]3NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)COC2)no1
InChIKey
MPTFUAVDKCTOGI-YTTGMZPUSA-N
Molecular formula
C37H30ClFN4O5
Average molar mass
665.1 g/mol

Names & identifiers

Preferred name
(3-{(S)-5-[5-Chloro-3-fluoro-2-(5-methyl-[1,2,4]oxadiazol-3-yl)-phenyl]-indan-1-ylcarbamoyl}-oxetan-3-yl)-carbamic acid 9H-fluoren-9-ylmethyl ester
IUPAC
9H-fluoren-9-ylmethyl N-[3-[[(1S)-5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]oxetan-3-yl]carbamate

Names & synonyms

SCHEMBL12501635MPTFUAVDKCTOGI-YTTGMZPUSA-N(3-{(S)-5-[5-Chloro-3-fluoro-2-(5-methyl-[1,2,4]oxadiazol-3-yl)-phenyl]-indan-1-ylcarbamoyl}-oxetan-3-yl)-carbamic acid 9H-fluoren-9-ylmethyl ester

Database identifiers

PubChem CID
68296802

Properties

Computed structural propertiesFilling in

XLogP
6.4
Topological polar surface area
116 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
48
Formal charge
0
Complexity
1,160

Related reactions

2 records
New reaction record
HRID 2046560 reaction equation
HRID 2046560As productuspto-grants-2013_11
HRID 2046598 reaction equation
HRID 2046598As reactantuspto-grants-2013_11

Compound notes

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