2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE
Thuốc Gốc
Small Molecule
CTHH: C17H18ClNO2S
PTK: 335.848
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
335.848
Monoisotopic mass
335.074677222
InChI
InChI=1S/C17H18ClNO2S/c1-11(2)6-8-21-16-10-13(4-5-15(16)18)19-17(22)14-7-9-20-12(14)3/h4-7,9-10H,8H2,1-3H3,(H,19,22)
InChI Key
InChIKey=YZHIXLCGPOTQNB-UHFFFAOYSA-N
IUPAC Name
N-{4-chloro-3-[(3-methylbut-2-en-1-yl)oxy]phenyl}-2-methylfuran-3-carbothioamide
Traditional IUPAC Name
N-{4-chloro-3-[(3-methylbut-2-en-1-yl)oxy]phenyl}-2-methylfuran-3-carbothioamide
SMILES
CC(C)=CCOC1=C(Cl)C=CC(NC(=S)C2=C(C)OC=C2)=C1
Độ hòa tan
1.23e-02 g/l
logP
5.1
logS
-4.4
pKa (strongest acidic)
10.85
pKa (Strongest Basic)
-2.8
PSA
34.4 Å2
Refractivity
97.63 m3·mol-1
Polarizability
35.62 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
1
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Ghose Filter
true
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