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

ChemBase ID: 370026
Molecular Formular: C22H34N4O2
Molecular Mass: 386.53096
Monoisotopic Mass: 386.26817635
SMILES and InChIs

SMILES:
N1(C(=O)N(C2(C1=O)CCN(CC2)CC(CC)C)CC(C)C)Cc1ncccc1
Canonical SMILES:
CCC(CN1CCC2(CC1)N(CC(C)C)C(=O)N(C2=O)Cc1ccccn1)C
InChI:
InChI=1S/C22H34N4O2/c1-5-18(4)15-24-12-9-22(10-13-24)20(27)25(16-19-8-6-7-11-23-19)21(28)26(22)14-17(2)3/h6-8,11,17-18H,5,9-10,12-16H2,1-4H3
InChIKey:
SWWVXUHVHCDFAJ-UHFFFAOYSA-N

Cite this record

CBID:370026 http://www.chembase.cn/molecule-370026.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-(2-methylbutyl)-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
IUPAC Traditional name
8-(2-methylbutyl)-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Synonyms
1-isobutyl-8-(2-methylbutyl)-3-(2-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) -0.6696946  LogD (pH = 7.4) 0.4748914 
Log P 2.7735326  Molar Refractivity 110.3533 cm3
Polarizability 43.219086 Å3 Polar Surface Area 56.75 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.75  LOG S -3.4 
Polar Surface Area 56.75 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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