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(2R)-N-[2-(dimethylamino)ethyl]-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-2-phenylacetamide

ChemBase ID: 341542
Molecular Formular: C19H26N2O2S
Molecular Mass: 346.48694
Monoisotopic Mass: 346.17149908
SMILES and InChIs

SMILES:
C(=O)(N(Cc1c(ccs1)C)CCN(C)C)[C@@H](c1ccccc1)OC
Canonical SMILES:
CO[C@@H](C(=O)N(Cc1sccc1C)CCN(C)C)c1ccccc1
InChI:
InChI=1S/C19H26N2O2S/c1-15-10-13-24-17(15)14-21(12-11-20(2)3)19(22)18(23-4)16-8-6-5-7-9-16/h5-10,13,18H,11-12,14H2,1-4H3/t18-/m1/s1
InChIKey:
AYHILBPNBRDQJP-GOSISDBHSA-N

Cite this record

CBID:341542 http://www.chembase.cn/molecule-341542.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-N-[2-(dimethylamino)ethyl]-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-2-phenylacetamide
IUPAC Traditional name
(2R)-N-[2-(dimethylamino)ethyl]-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-2-phenylacetamide
Synonyms
(2R)-N-[2-(dimethylamino)ethyl]-2-methoxy-N-[(3-methyl-2-thienyl)methyl]-2-phenylacetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 0.4946102  LogD (pH = 7.4) 2.2500155 
Log P 3.348792  Molar Refractivity 99.6334 cm3
Polarizability 38.48108 Å3 Polar Surface Area 32.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.67  LOG S -4.86 
Polar Surface Area 32.78 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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