(R)-1-(3-chloro-4-trifluoromethyl-phenyl)-4-[4-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-4-oxo-butyl]-2-methyl-1,2,3,4-tetrahydro-[1,4]diazepin-5-one

HCID 58232178
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Basic information

Standard SMILES
C[C@@H]1CN(CCCC(=O)N2CCC3(CC3)[C@H](O)C2)C(=O)C=CN1c1ccc(C(F)(F)F)c(Cl)c1
InChIKey
XVBLEFOSGYYGSG-OXQOHEQNSA-N
Molecular formula
C24H29ClF3N3O3
Average molar mass
500 g/mol
Monoisotopic mass
499.184954

Names & identifiers

Preferred name
(R)-1-(3-chloro-4-trifluoromethyl-phenyl)-4-[4-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-4-oxo-butyl]-2-methyl-1,2,3,4-tetrahydro-[1,4]diazepin-5-one
IUPAC
(2R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-4-oxobutyl]-2-methyl-2,3-dihydro-1,4-diazepin-5-one

Names & synonyms

(R)-1-(3-chloro-4-trifluoromethyl-phenyl)-4-[4-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-4-oxo-butyl]-2-methyl-1,2,3,4-tetrahydro-[1,4]diazepin-5-oneSCHEMBL1555969

Database identifiers

PubChem CID
58232178

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
64.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
34

Related reactions

1 records
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Compound notes

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