4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE
Thuốc Gốc
Small Molecule
CTHH: C18H20N6O2S
PTK: 384.455
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H20N6O2S
Phân tử khối
384.455
Monoisotopic mass
384.136844604
InChI
InChI=1S/C18H20N6O2S/c1-12-21-11-17(24(12)14-5-6-14)16-9-10-20-18(23-16)22-13-3-7-15(8-4-13)27(25,26)19-2/h3-4,7-11,14,19H,5-6H2,1-2H3,(H,20,22,23)
InChI Key
InChIKey=MZWCVBFANHIPTJ-UHFFFAOYSA-N
IUPAC Name
4-{[4-(1-cyclopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino}-N-methylbenzene-1-sulfonamide
Traditional IUPAC Name
4-{[4-(3-cyclopropyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
SMILES
CNS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C(C)N2C2CC2)C=C1
Độ hòa tan
2.51e-01 g/l
logP
1.65
logS
-3.2
pKa (strongest acidic)
10.63
pKa (Strongest Basic)
6.25
PSA
101.8 Å2
Refractivity
102.35 m3·mol-1
Polarizability
39.88 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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