3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-1-YL)BENZYL]-3H-BENZOTHIAZOL-2-ONE
Thuốc Gốc
Small Molecule
CTHH: C21H16N4OS
PTK: 372.443
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
372.443
Monoisotopic mass
372.104481844
InChI
InChI=1S/C21H16N4OS/c1-14-23-17-12-22-11-10-18(17)25(14)16-8-6-15(7-9-16)13-24-19-4-2-3-5-20(19)27-21(24)26/h2-12H,13H2,1H3
InChI Key
InChIKey=WUOLYUKMMRCXGH-UHFFFAOYSA-N
IUPAC Name
3-[(4-{2-methyl-1H-imidazo[4,5-c]pyridin-1-yl}phenyl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one
Traditional IUPAC Name
3-[(4-{2-methylimidazo[4,5-c]pyridin-1-yl}phenyl)methyl]-1,3-benzothiazol-2-one
SMILES
CC1=NC2=C(C=CN=C2)N1C1=CC=C(CN2C(=O)SC3=C2C=CC=C3)C=C1
Độ hòa tan
3.36e-02 g/l
logP
3.44
logS
-4
pKa (Strongest Basic)
5.33
PSA
51.02 Å2
Refractivity
116.62 m3·mol-1
Polarizability
39.41 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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