N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide
Thuốc Gốc
Small Molecule
CTHH: C18H18N4O2S
PTK: 354.426
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
354.426
Monoisotopic mass
354.11504653
InChI
InChI=1S/C18H18N4O2S/c1-13-8-9-15(10-16(13)22-25(2,23)24)21-18-11-17(19-12-20-18)14-6-4-3-5-7-14/h3-12,22H,1-2H3,(H,19,20,21)
InChI Key
InChIKey=CXQRKICWSCAUGW-UHFFFAOYSA-N
IUPAC Name
N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide
Traditional IUPAC Name
N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide
SMILES
CC1=CC=C(NC2=CC(=NC=N2)C2=CC=CC=C2)C=C1NS(C)(=O)=O
Độ hòa tan
7.62e-03 g/l
logP
3
logS
-4.7
pKa (strongest acidic)
10.21
pKa (Strongest Basic)
4.02
PSA
83.98 Å2
Refractivity
98.01 m3·mol-1
Polarizability
37.75 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
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