Tìm theo
Myxothiazol
Các tên gọi khác (1) :
  • (2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYLHEPTA-2,4-DIENYL]-2,4'-BI-1,3-THIAZOL-4-YL}-3,5-DIMETHOXY-4-METHYLHEPTA-2,6-DIENAMIDE
Thuốc trị ký sinh trùng, chống nhiễm khuẩn
Thuốc Gốc
Small Molecule
CAS: 76706-55-3
CTHH: C25H33N3O3S2
PTK: 487.678
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C25H33N3O3S2
Phân tử khối
487.678
Monoisotopic mass
487.196333317
InChI
InChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17-,18+,21-/m0/s1
InChI Key
InChIKey=XKTFQMCPGMTBMD-FYHMSGCOSA-N
IUPAC Name
(2E,4R,5S,6E)-3,5-dimethoxy-4-methyl-7-(2-{2-[(2S,3E,5E)-7-methylocta-3,5-dien-2-yl]-1,3-thiazol-4-yl}-1,3-thiazol-4-yl)hepta-2,6-dienamide
Traditional IUPAC Name
myxothiazol
SMILES
CO[C@@H](\C=C\C1=CSC(=N1)C1=CSC(=N1)[C@@H](C)\C=C\C=C\C(C)C)[C@@H](C)C(\OC)=C/C(N)=O
Độ hòa tan
1.49e-03 g/l
logP
4.96
logS
-5.5
pKa (strongest acidic)
15.91
pKa (Strongest Basic)
1.42
PSA
87.33 Å2
Refractivity
149.97 m3·mol-1
Polarizability
55.01 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
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