Tìm theo
N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide
Thuốc Gốc
Small Molecule
CTHH: C19H18F3NO6S
PTK: 445.41
N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide is a solid. This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. This substance is known to target a disintegrin and metalloproteinase with thrombospondin motifs 5.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H18F3NO6S
Phân tử khối
445.41
Monoisotopic mass
445.080692618
InChI
InChI=1S/C19H18F3NO6S/c20-19(21,22)13-1-3-14(4-2-13)29-15-5-7-16(8-6-15)30(26,27)18(17(24)23-25)9-11-28-12-10-18/h1-8,25H,9-12H2,(H,23,24)
InChI Key
InChIKey=FOSWRYKPHVPIDJ-UHFFFAOYSA-N
IUPAC Name
N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]benzene}sulfonyl)oxane-4-carboxamide
Traditional IUPAC Name
N-hydroxy-4-{4-[4-(trifluoromethyl)phenoxy]benzenesulfonyl}oxane-4-carboxamide
SMILES
ONC(=O)C1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=C(C=C2)C(F)(F)F)C=C1
Độ hòa tan
4.41e-02 g/l
logP
2.51
logS
-4
pKa (strongest acidic)
8.66
pKa (Strongest Basic)
-4.1
PSA
101.93 Å2
Refractivity
100.21 m3·mol-1
Polarizability
38.91 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB06945
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=9933197
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99443416
ChemSpider
http://www.chemspider.com/Chemical-Structure.8108825.html
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