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8-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(propan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

ChemBase ID: 320939
Molecular Formular: C24H31N3O3
Molecular Mass: 409.52124
Monoisotopic Mass: 409.23654187
SMILES and InChIs

SMILES:
N1(C(=O)N(C2(C1=O)CCN(Cc1oc(cc1)C)CC2)CCc1ccccc1)C(C)C
Canonical SMILES:
Cc1ccc(o1)CN1CCC2(CC1)C(=O)N(C(=O)N2CCc1ccccc1)C(C)C
InChI:
InChI=1S/C24H31N3O3/c1-18(2)27-22(28)24(26(23(27)29)14-11-20-7-5-4-6-8-20)12-15-25(16-13-24)17-21-10-9-19(3)30-21/h4-10,18H,11-17H2,1-3H3
InChIKey:
YEXFXPMCFOYCGN-UHFFFAOYSA-N

Cite this record

CBID:320939 http://www.chembase.cn/molecule-320939.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-3-(propan-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
IUPAC Traditional name
3-isopropyl-8-[(5-methylfuran-2-yl)methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Synonyms
3-isopropyl-8-[(5-methyl-2-furyl)methyl]-1-(2-phenylethyl)-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

供应商提供(Chembridge) JChem
Rotatable Bonds H Acceptors
H Donor Log P 3.44 
LOG S -5.05  Polar Surface Area 57.0 Å2
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 0.23378247 
LogD (pH = 7.4) 1.9991013  Log P 3.0228834 
Molar Refractivity 117.0186 cm3 Polarizability 44.976048 Å3
Polar Surface Area 57.0 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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