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

N-{[7-(5-acetylthiophen-2-yl)-1H,2H-naphtho[2,1-b]furan-2-yl]methyl}-2-(dimethylamino)acetamide

ChemBase ID: 323590
Molecular Formular: C23H24N2O3S
Molecular Mass: 408.51326
Monoisotopic Mass: 408.15076364
SMILES and InChIs

SMILES:
s1c(ccc1C(=O)C)c1cc2c(c3c(OC(C3)CNC(=O)CN(C)C)cc2)cc1
Canonical SMILES:
CN(CC(=O)NCC1Oc2c(C1)c1ccc(cc1cc2)c1ccc(s1)C(=O)C)C
InChI:
InChI=1S/C23H24N2O3S/c1-14(26)21-8-9-22(29-21)16-4-6-18-15(10-16)5-7-20-19(18)11-17(28-20)12-24-23(27)13-25(2)3/h4-10,17H,11-13H2,1-3H3,(H,24,27)
InChIKey:
WKSGMSTYHXWBLH-UHFFFAOYSA-N

Cite this record

CBID:323590 http://www.chembase.cn/molecule-323590.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[7-(5-acetylthiophen-2-yl)-1H,2H-naphtho[2,1-b]furan-2-yl]methyl}-2-(dimethylamino)acetamide
IUPAC Traditional name
N-{[7-(5-acetylthiophen-2-yl)-1H,2H-naphtho[2,1-b]furan-2-yl]methyl}-2-(dimethylamino)acetamide
Synonyms
N~1~-{[7-(5-acetyl-2-thienyl)-1,2-dihydronaphtho[2,1-b]furan-2-yl]methyl}-N~2~,N~2~-dimethylglycinamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11453958 external link Add to cart
Data Source Data ID Price
ChemBridge
11453958 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.865289  H Acceptors
H Donor LogD (pH = 5.5) 0.9395326 
LogD (pH = 7.4) 2.5775473  Log P 2.9325285 
Molar Refractivity 114.9868 cm3 Polarizability 46.77711 Å3
Polar Surface Area 58.64 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.08  LOG S -4.64 
Polar Surface Area 58.64 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