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

ChemBase ID: 322784
Molecular Formular: C26H38N4O2
Molecular Mass: 438.60552
Monoisotopic Mass: 438.29947648
SMILES and InChIs

SMILES:
N1(C(=O)N(C2(C1=O)CCN(CC2)CC1CC=CCC1)CC(C)C)CCCc1cnccc1
Canonical SMILES:
CC(CN1C(=O)N(C(=O)C21CCN(CC2)CC1CCC=CC1)CCCc1cccnc1)C
InChI:
InChI=1S/C26H38N4O2/c1-21(2)19-30-25(32)29(15-7-11-22-10-6-14-27-18-22)24(31)26(30)12-16-28(17-13-26)20-23-8-4-3-5-9-23/h3-4,6,10,14,18,21,23H,5,7-9,11-13,15-17,19-20H2,1-2H3
InChIKey:
OIADYALVVVNBFT-UHFFFAOYSA-N

Cite this record

CBID:322784 http://www.chembase.cn/molecule-322784.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-(cyclohex-3-en-1-ylmethyl)-1-(2-methylpropyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
IUPAC Traditional name
8-(cyclohex-3-en-1-ylmethyl)-1-(2-methylpropyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
Synonyms
8-(3-cyclohexen-1-ylmethyl)-1-isobutyl-3-[3-(3-pyridinyl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11339840 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) -0.060103808  LogD (pH = 7.4) 0.97020274 
Log P 3.4887803  Molar Refractivity 128.7479 cm3
Polarizability 49.617912 Å3 Polar Surface Area 56.75 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.47  LOG S -4.67 
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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