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2-[(3-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholine

ChemBase ID: 865853
Molecular Formular: C17H20N2O3S
Molecular Mass: 332.4173
Monoisotopic Mass: 332.11946351
SMILES and InChIs

SMILES:
c1(C(=O)N2CC(OCC2)Cc2cc(OC)ccc2)c(ncs1)C
Canonical SMILES:
COc1cccc(c1)CC1OCCN(C1)C(=O)c1scnc1C
InChI:
InChI=1S/C17H20N2O3S/c1-12-16(23-11-18-12)17(20)19-6-7-22-15(10-19)9-13-4-3-5-14(8-13)21-2/h3-5,8,11,15H,6-7,9-10H2,1-2H3
InChIKey:
SHSMIYDCVAMYBG-UHFFFAOYSA-N

Cite this record

CBID:865853 http://www.chembase.cn/molecule-865853.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(3-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholine
IUPAC Traditional name
2-[(3-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholine
Synonyms
2-(3-methoxybenzyl)-4-[(4-methyl-1,3-thiazol-5-yl)carbonyl]morpholine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.8905563  LogD (pH = 7.4) 1.8905702 
Log P 1.8905703  Molar Refractivity 89.0893 cm3
Polarizability 34.029423 Å3 Polar Surface Area 51.66 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.0  LOG S -3.13 
Polar Surface Area 51.66 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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