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5-{1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl}-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

ChemBase ID: 370086
Molecular Formular: C26H29N3O3S
Molecular Mass: 463.59176
Monoisotopic Mass: 463.1929628
SMILES and InChIs

SMILES:
N1(C(=O)NC(C1=O)(C1CCN(Cc2c3c(c(cc2)OC)cccc3)CC1)C)Cc1cscc1
Canonical SMILES:
COc1ccc(c2c1cccc2)CN1CCC(CC1)C1(C)NC(=O)N(C1=O)Cc1cscc1
InChI:
InChI=1S/C26H29N3O3S/c1-26(24(30)29(25(31)27-26)15-18-11-14-33-17-18)20-9-12-28(13-10-20)16-19-7-8-23(32-2)22-6-4-3-5-21(19)22/h3-8,11,14,17,20H,9-10,12-13,15-16H2,1-2H3,(H,27,31)
InChIKey:
RUBDMHJFLULVGS-UHFFFAOYSA-N

Cite this record

CBID:370086 http://www.chembase.cn/molecule-370086.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-{1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl}-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
IUPAC Traditional name
5-{1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl}-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
Synonyms
5-{1-[(4-methoxy-1-naphthyl)methyl]-4-piperidinyl}-5-methyl-3-(3-thienylmethyl)-2,4-imidazolidinedione

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 11.522634  H Acceptors
H Donor LogD (pH = 5.5) 0.72586364 
LogD (pH = 7.4) 2.2780483  Log P 3.9667783 
Molar Refractivity 129.9149 cm3 Polarizability 51.32965 Å3
Polar Surface Area 61.88 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.32  LOG S -5.59 
Polar Surface Area 61.88 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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