-
3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione
-
ChemBase ID:
323719
-
Molecular Formular:
C24H37N3O4
-
Molecular Mass:
431.56828
-
Monoisotopic Mass:
431.27840668
-
SMILES and InChIs
SMILES:
N1(C(=O)NC(C1=O)(Cc1cc(OC)ccc1)C1CCN(CC1)CC(CC)C)CCOC
Canonical SMILES:
COCCN1C(=O)NC(C1=O)(Cc1cccc(c1)OC)C1CCN(CC1)CC(CC)C
InChI:
InChI=1S/C24H37N3O4/c1-5-18(2)17-26-11-9-20(10-12-26)24(16-19-7-6-8-21(15-19)31-4)22(28)27(13-14-30-3)23(29)25-24/h6-8,15,18,20H,5,9-14,16-17H2,1-4H3,(H,25,29)
InChIKey:
XJJAVEPLWUCSLF-UHFFFAOYSA-N
-
Cite this record
CBID:323719 http://www.chembase.cn/molecule-323719.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione
|
|
|
IUPAC Traditional name
|
3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione
|
|
|
Synonyms
|
5-(3-methoxybenzyl)-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)-4-piperidinyl]-2,4-imidazolidinedione
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
11.622562
|
H Acceptors
|
5
|
H Donor
|
1
|
LogD (pH = 5.5)
|
-0.37592265
|
LogD (pH = 7.4)
|
0.7710909
|
Log P
|
2.9294174
|
Molar Refractivity
|
121.1414 cm3
|
Polarizability
|
47.33452 Å3
|
Polar Surface Area
|
71.11 Å2
|
Rotatable Bonds
|
10
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
5
|
H Donor
|
1
|
Log P
|
2.47
|
LOG S
|
-3.71
|
Polar Surface Area
|
71.11 Å2
|
Rotatable Bonds
|
7
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent