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2-benzyl-4-{[2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl}morpholine

ChemBase ID: 341156
Molecular Formular: C19H25N3OS
Molecular Mass: 343.4863
Monoisotopic Mass: 343.17183344
SMILES and InChIs

SMILES:
c1(ncc(s1)CN1CC(OCC1)Cc1ccccc1)N1CCCC1
Canonical SMILES:
c1ccc(cc1)CC1OCCN(C1)Cc1cnc(s1)N1CCCC1
InChI:
InChI=1S/C19H25N3OS/c1-2-6-16(7-3-1)12-17-14-21(10-11-23-17)15-18-13-20-19(24-18)22-8-4-5-9-22/h1-3,6-7,13,17H,4-5,8-12,14-15H2
InChIKey:
HZQCUJIASRDJOQ-UHFFFAOYSA-N

Cite this record

CBID:341156 http://www.chembase.cn/molecule-341156.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-benzyl-4-{[2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl}morpholine
IUPAC Traditional name
2-benzyl-4-{[2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl}morpholine
Synonyms
2-benzyl-4-{[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methyl}morpholine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13979956 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)
H Acceptors H Donor
LogD (pH = 5.5) 2.5156455  LogD (pH = 7.4) 3.676068 
Log P 3.758367  Molar Refractivity 99.1484 cm3
Polarizability 37.924877 Å3 Polar Surface Area 28.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.71  LOG S -4.0 
Polar Surface Area 28.6 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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