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methyl 2-{1-benzyl-8-[(1-methyl-1H-indol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl}acetate

ChemBase ID: 340786
Molecular Formular: C27H30N4O4
Molecular Mass: 474.5515
Monoisotopic Mass: 474.22670546
SMILES and InChIs

SMILES:
N1(C(=O)N(C2(C1=O)CCN(Cc1cn(c3c1cccc3)C)CC2)Cc1ccccc1)CC(=O)OC
Canonical SMILES:
COC(=O)CN1C(=O)N(C2(C1=O)CCN(CC2)Cc1cn(c2c1cccc2)C)Cc1ccccc1
InChI:
InChI=1S/C27H30N4O4/c1-28-17-21(22-10-6-7-11-23(22)28)18-29-14-12-27(13-15-29)25(33)30(19-24(32)35-2)26(34)31(27)16-20-8-4-3-5-9-20/h3-11,17H,12-16,18-19H2,1-2H3
InChIKey:
FFCHOGOXWQMJIC-UHFFFAOYSA-N

Cite this record

CBID:340786 http://www.chembase.cn/molecule-340786.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-{1-benzyl-8-[(1-methyl-1H-indol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl}acetate
IUPAC Traditional name
methyl 2-{1-benzyl-8-[(1-methylindol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl}acetate
Synonyms
methyl {1-benzyl-8-[(1-methyl-1H-indol-3-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl}acetate

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13928660 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.65498316  LogD (pH = 7.4) 0.81372154 
Log P 2.6473465  Molar Refractivity 132.3925 cm3
Polarizability 52.228054 Å3 Polar Surface Area 75.09 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.43  LOG S -4.75 
Polar Surface Area 75.09 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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