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3-[2-chloro-5-(morpholin-4-yl)phenyl]-1-[3-(pyridin-3-yl)propyl]urea

ChemBase ID: 341675
Molecular Formular: C19H23ClN4O2
Molecular Mass: 374.86452
Monoisotopic Mass: 374.15095368
SMILES and InChIs

SMILES:
c1(cc(N2CCOCC2)ccc1Cl)NC(=O)NCCCc1cnccc1
Canonical SMILES:
O=C(Nc1cc(ccc1Cl)N1CCOCC1)NCCCc1cccnc1
InChI:
InChI=1S/C19H23ClN4O2/c20-17-6-5-16(24-9-11-26-12-10-24)13-18(17)23-19(25)22-8-2-4-15-3-1-7-21-14-15/h1,3,5-7,13-14H,2,4,8-12H2,(H2,22,23,25)
InChIKey:
FEYZYOQEWRQLMJ-UHFFFAOYSA-N

Cite this record

CBID:341675 http://www.chembase.cn/molecule-341675.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[2-chloro-5-(morpholin-4-yl)phenyl]-1-[3-(pyridin-3-yl)propyl]urea
IUPAC Traditional name
3-[2-chloro-5-(morpholin-4-yl)phenyl]-1-[3-(pyridin-3-yl)propyl]urea
Synonyms
N-(2-chloro-5-morpholin-4-ylphenyl)-N'-(3-pyridin-3-ylpropyl)urea

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14052481 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 12.118076  H Acceptors
H Donor LogD (pH = 5.5) 2.7422478 
LogD (pH = 7.4) 2.8333664  Log P 2.8347054 
Molar Refractivity 104.614 cm3 Polarizability 39.074276 Å3
Polar Surface Area 66.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.36  LOG S -2.65 
Polar Surface Area 66.49 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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