1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE
Thuốc Gốc
Small Molecule
CTHH: C10H10F3N3OS2
PTK: 309.331
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
309.331
Monoisotopic mass
309.021737952
InChI
InChI=1S/C10H10F3N3OS2/c1-16-9-5(7(15-16)10(11,12)13)4-6(19-9)8(17)14-2-3-18/h4,18H,2-3H2,1H3,(H,14,17)
InChI Key
InChIKey=HDKGQVZBBSICLG-UHFFFAOYSA-N
IUPAC Name
1-methyl-N-(2-sulfanylethyl)-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
Traditional IUPAC Name
1-methyl-N-(2-sulfanylethyl)-3-(trifluoromethyl)thieno[2,3-c]pyrazole-5-carboxamide
SMILES
CN1N=C(C2=C1SC(=C2)C(=O)NCCS)C(F)(F)F
Độ hòa tan
4.21e-02 g/l
logP
2.43
logS
-3.9
pKa (strongest acidic)
10.07
pKa (Strongest Basic)
-1.3
PSA
46.92 Å2
Refractivity
79.16 m3·mol-1
Polarizability
27.77 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
2
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading