(2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE
Thuốc Gốc
Small Molecule
CTHH: C19H15N5O3S2
PTK: 425.484
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
425.484
Monoisotopic mass
425.061630751
InChI
InChI=1S/C19H15N5O3S2/c25-19(21-14-9-11-20-12-10-14)17(13-5-2-1-3-6-13)24-29(26,27)16-8-4-7-15-18(16)23-28-22-15/h1-12,17,24H,(H,20,21,25)/t17-/m0/s1
InChI Key
InChIKey=ADRNPUSZBRQDBG-KRWDZBQOSA-N
IUPAC Name
(2S)-2-(2,1,3-benzothiadiazole-4-sulfonamido)-2-phenyl-N-(pyridin-4-yl)acetamide
Traditional IUPAC Name
(2S)-2-(2,1,3-benzothiadiazole-4-sulfonamido)-2-phenyl-N-(pyridin-4-yl)acetamide
SMILES
[H][C@@](NS(=O)(=O)C1=CC=CC2=NSN=C12)(C(=O)NC1=CC=NC=C1)C1=CC=CC=C1
Độ hòa tan
2.26e-02 g/l
logP
2.58
logS
-4.3
pKa (strongest acidic)
7.64
pKa (Strongest Basic)
5.62
PSA
113.94 Å2
Refractivity
110.16 m3·mol-1
Polarizability
40.65 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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