5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-car
Thuốc Gốc
Small Molecule
CTHH: C19H18ClN3O5S
PTK: 435.881
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
435.881
Monoisotopic mass
435.065569098
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
InChI Key
InChIKey=KGFYHTZWPPHNLQ-AWEZNQCLSA-N
IUPAC Name
5-chloro-N-{[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl}thiophene-2-carboxamide
Traditional IUPAC Name
rivaroxaban
SMILES
[H][C@]1(CNC(=O)C2=CC=C(Cl)S2)CN(C(=O)O1)C1=CC=C(C=C1)N1CCOCC1=O
Độ hòa tan
1.00e-02 g/l
logP
1.9
logS
-4.6
pKa (strongest acidic)
13.6
pKa (Strongest Basic)
-1.6
PSA
88.18 Å2
Refractivity
104.74 m3·mol-1
Polarizability
43.41 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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