Home > Compound List > Compound details
 molecular structure
click picture or here to close

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

ChemBase ID: 360205
Molecular Formular: C19H25F2N3O2
Molecular Mass: 365.4175064
Monoisotopic Mass: 365.1914835
SMILES and InChIs

SMILES:
N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1cc(c(cc1)F)F)CC(C)C)C
Canonical SMILES:
CC(CN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc(c(c1)F)F)C)C
InChI:
InChI=1S/C19H25F2N3O2/c1-13(2)11-24-18(26)22(3)17(25)19(24)6-8-23(9-7-19)12-14-4-5-15(20)16(21)10-14/h4-5,10,13H,6-9,11-12H2,1-3H3
InChIKey:
PBVDQUDSLXQJHD-UHFFFAOYSA-N

Cite this record

CBID:360205 http://www.chembase.cn/molecule-360205.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-[(3,4-difluorophenyl)methyl]-3-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
IUPAC Traditional name
8-[(3,4-difluorophenyl)methyl]-3-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Synonyms
8-(3,4-difluorobenzyl)-1-isobutyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 16774920 external link Add to cart
Data Source Data ID Price
ChemBridge
16774920 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.4216973  LogD (pH = 7.4) 2.0953016 
Log P 2.5062652  Molar Refractivity 95.12 cm3
Polarizability 36.14854 Å3 Polar Surface Area 43.86 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.5  LOG S -3.28 
Polar Surface Area 43.86 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle