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5-(morpholin-4-ylmethyl)-N-{[3-(pyrrolidin-1-yl)phenyl]methyl}furan-3-carboxamide

ChemBase ID: 470323
Molecular Formular: C21H27N3O3
Molecular Mass: 369.45738
Monoisotopic Mass: 369.20524174
SMILES and InChIs

SMILES:
c1(C(=O)NCc2cc(N3CCCC3)ccc2)cc(oc1)CN1CCOCC1
Canonical SMILES:
O=C(c1coc(c1)CN1CCOCC1)NCc1cccc(c1)N1CCCC1
InChI:
InChI=1S/C21H27N3O3/c25-21(18-13-20(27-16-18)15-23-8-10-26-11-9-23)22-14-17-4-3-5-19(12-17)24-6-1-2-7-24/h3-5,12-13,16H,1-2,6-11,14-15H2,(H,22,25)
InChIKey:
QUHHWLKHCFVCBO-UHFFFAOYSA-N

Cite this record

CBID:470323 http://www.chembase.cn/molecule-470323.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(morpholin-4-ylmethyl)-N-{[3-(pyrrolidin-1-yl)phenyl]methyl}furan-3-carboxamide
IUPAC Traditional name
5-(morpholin-4-ylmethyl)-N-{[3-(pyrrolidin-1-yl)phenyl]methyl}furan-3-carboxamide
Synonyms
5-(4-morpholinylmethyl)-N-[3-(1-pyrrolidinyl)benzyl]-3-furamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 33936080 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)
Acid pKa 13.89866  H Acceptors
H Donor LogD (pH = 5.5) 1.6446393 
LogD (pH = 7.4) 2.0615036  Log P 2.0690196 
Molar Refractivity 106.6234 cm3 Polarizability 39.93713 Å3
Polar Surface Area 57.95 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.47  LOG S -3.15 
Polar Surface Area 57.95 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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