Tìm theo
WAY-151693
Các tên gọi khác (1) :
  • n-hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3-methyl-benzamide
Thuốc Gốc
Small Molecule
CTHH: C21H21N3O5S
PTK: 427.474
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H21N3O5S
Phân tử khối
427.474
Monoisotopic mass
427.120191487
InChI
InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)
InChI Key
InChIKey=AINJYWXKBKRQSX-UHFFFAOYSA-N
IUPAC Name
N-hydroxy-3-methyl-2-[N-(pyridin-3-ylmethyl)(4-methoxybenzene)sulfonamido]benzamide
Traditional IUPAC Name
N-hydroxy-3-methyl-2-[N-(pyridin-3-ylmethyl)(4-methoxybenzene)sulfonamido]benzamide
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=CN=C1)C1=C(C=CC=C1C)C(=O)NO
Độ hòa tan
1.24e-02 g/l
logP
2.39
logS
-4.5
pKa (strongest acidic)
9.5
pKa (Strongest Basic)
4.81
PSA
108.83 Å2
Refractivity
112.59 m3·mol-1
Polarizability
42.25 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
6
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/DB02071
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4368
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508910
ChemSpider
http://www.chemspider.com/Chemical-Structure.4215.html
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