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1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

ChemBase ID: 321766
Molecular Formular: C23H29N5O2
Molecular Mass: 407.50866
Monoisotopic Mass: 407.23212519
SMILES and InChIs

SMILES:
N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1cnccc1)CC(C)C)Cc1ncccc1
Canonical SMILES:
CC(CN1C(=O)N(C(=O)C21CCN(CC2)Cc1cccnc1)Cc1ccccn1)C
InChI:
InChI=1S/C23H29N5O2/c1-18(2)15-28-22(30)27(17-20-7-3-4-11-25-20)21(29)23(28)8-12-26(13-9-23)16-19-6-5-10-24-14-19/h3-7,10-11,14,18H,8-9,12-13,15-17H2,1-2H3
InChIKey:
QKLRPWIJWCWNNJ-UHFFFAOYSA-N

Cite this record

CBID:321766 http://www.chembase.cn/molecule-321766.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
IUPAC Traditional name
1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Synonyms
1-isobutyl-3-(2-pyridinylmethyl)-8-(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) -1.0529333  LogD (pH = 7.4) 0.7384414 
Log P 1.5914614  Molar Refractivity 114.4638 cm3
Polarizability 44.54674 Å3 Polar Surface Area 69.64 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.06  LOG S -2.73 
Polar Surface Area 69.64 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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