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366789-02-8 molecular structure
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5-chloro-N-{[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl}thiophene-2-carboxamide

ChemBase ID: 866339
Molecular Formular: C19H18ClN3O5S
Molecular Mass: 435.88132
Monoisotopic Mass: 435.06556937
SMILES and InChIs

SMILES:
O=C1O[C@H](CN1c1ccc(cc1)N1CCOCC1=O)CNC(=O)c1ccc(s1)Cl
Canonical SMILES:
O=C1O[C@H](CN1c1ccc(cc1)N1CCOCC1=O)CNC(=O)c1ccc(s1)Cl
InChI:
InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1
InChIKey:
KGFYHTZWPPHNLQ-AWEZNQCLSA-N

Cite this record

CBID:866339 http://www.chembase.cn/molecule-866339.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-N-{[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl}thiophene-2-carboxamide
IUPAC Traditional name
rivaroxaban
Synonyms
Rivaroxaban
利伐沙班
CAS Number
366789-02-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
T&W Pharma. TW000041 external link Add to cart
Data Source Data ID Price
T&W Pharma.
TW000041 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.599337  H Acceptors
H Donor LogD (pH = 5.5) 1.8976446 
LogD (pH = 7.4) 1.8976445  Log P 1.8976448 
Molar Refractivity 104.7437 cm3 Polarizability 40.606617 Å3
Polar Surface Area 88.18 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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