(R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
Thuốc Gốc
Small Molecule
CTHH: C11H10BrF3N2O4
PTK: 371.107
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
371.107
Monoisotopic mass
369.97760408
InChI
InChI=1S/C11H10BrF3N2O4/c1-10(19,5-12)9(18)16-6-2-3-8(17(20)21)7(4-6)11(13,14)15/h2-4,19H,5H2,1H3,(H,16,18)/t10-/m0/s1
InChI Key
InChIKey=QDSWNDMHSBZXKX-JTQLQIEISA-N
IUPAC Name
(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
Traditional IUPAC Name
(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
SMILES
C[C@](O)(CBr)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F
Độ hòa tan
4.10e-03 g/l
logP
2.71
logS
-5
pKa (strongest acidic)
11.83
pKa (Strongest Basic)
-4
PSA
95.15 Å2
Refractivity
72.71 m3·mol-1
Polarizability
27.04 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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