3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(
Thuốc Gốc
Small Molecule
CTHH: C20H23F3N4O5S
PTK: 488.481
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
488.481
Monoisotopic mass
488.134125171
InChI
InChI=1S/C20H23F3N4O5S/c1-12(2)17(18(29)20(21,22)23)25-16(28)11-27-15(13-7-5-4-6-8-13)10-9-14(19(27)30)26-33(31,32)24-3/h4-10,12,17,24,26H,11H2,1-3H3,(H,25,28)/t17-/m0/s1
InChI Key
InChIKey=MYFMPKCOIMRDDD-KRWDZBQOSA-N
IUPAC Name
2-{3-[(methylsulfamoyl)amino]-2-oxo-6-phenyl-1,2-dihydropyridin-1-yl}-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide
Traditional IUPAC Name
2-{3-[(methylsulfamoyl)amino]-2-oxo-6-phenylpyridin-1-yl}-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide
SMILES
[H][C@](NC(=O)CN1C(=O)C(NS(=O)(=O)NC)=CC=C1C1=CC=CC=C1)(C(C)C)C(=O)C(F)(F)F
Độ hòa tan
6.59e-03 g/l
logP
1.03
logS
-4.9
pKa (strongest acidic)
8.17
pKa (Strongest Basic)
0.23
PSA
124.68 Å2
Refractivity
115.91 m3·mol-1
Polarizability
45.15 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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