2-[5-Methanesulfonylamino-2-(4-Aminophenyl)-6-Oxo-1,6-Dihydro-1-Pyrimidinyl]-N-(3,3,3-Trifluoro-1-Is
Thuốc Gốc
Small Molecule
CTHH: C19H22F3N5O5S
PTK: 489.469
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
489.469
Monoisotopic mass
489.129374144
InChI
InChI=1S/C19H22F3N5O5S/c1-10(2)15(16(29)19(20,21)22)25-14(28)9-27-17(11-4-6-12(23)7-5-11)24-8-13(18(27)30)26-33(3,31)32/h4-8,10,15,26H,9,23H2,1-3H3,(H,25,28)/t15-/m0/s1
InChI Key
InChIKey=JWSWTHSJMGVOKE-HNNXBMFYSA-N
IUPAC Name
2-[2-(4-aminophenyl)-5-methanesulfonamido-6-oxo-1,6-dihydropyrimidin-1-yl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide
Traditional IUPAC Name
2-[2-(4-aminophenyl)-5-methanesulfonamido-6-oxopyrimidin-1-yl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide
SMILES
[H][C@](NC(=O)CN1C(=O)C(NS(C)(=O)=O)=CN=C1C1=CC=C(N)C=C1)(C(C)C)C(=O)C(F)(F)F
Độ hòa tan
4.22e-03 g/l
logP
0.46
logS
-5.1
pKa (strongest acidic)
6.87
pKa (Strongest Basic)
3.58
PSA
151.03 Å2
Refractivity
113.23 m3·mol-1
Polarizability
44.81 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
7
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading