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1-(2-methoxyethyl)-8-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

ChemBase ID: 341414
Molecular Formular: C26H32N4O3
Molecular Mass: 448.55728
Monoisotopic Mass: 448.2474409
SMILES and InChIs

SMILES:
N1(C(=O)N(C2(C1=O)CCN(C/C(=C/c1ccccc1)/C)CC2)CCOC)Cc1cnccc1
Canonical SMILES:
COCCN1C(=O)N(C(=O)C21CCN(CC2)C/C(=C/c1ccccc1)/C)Cc1cccnc1
InChI:
InChI=1S/C26H32N4O3/c1-21(17-22-7-4-3-5-8-22)19-28-13-10-26(11-14-28)24(31)29(20-23-9-6-12-27-18-23)25(32)30(26)15-16-33-2/h3-9,12,17-18H,10-11,13-16,19-20H2,1-2H3/b21-17+
InChIKey:
BLTAKZHCLZKQJF-HEHNFIMWSA-N

Cite this record

CBID:341414 http://www.chembase.cn/molecule-341414.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-methoxyethyl)-8-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
IUPAC Traditional name
1-(2-methoxyethyl)-8-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Synonyms
1-(2-methoxyethyl)-8-[(2E)-2-methyl-3-phenyl-2-propen-1-yl]-3-(3-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

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)
H Acceptors H Donor
LogD (pH = 5.5) -0.78389716  LogD (pH = 7.4) 1.0016124 
Log P 2.2896602  Molar Refractivity 129.0428 cm3
Polarizability 49.65409 Å3 Polar Surface Area 65.98 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.14  LOG S -3.61 
Polar Surface Area 65.98 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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