Tìm theo
6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine
Thuốc Gốc
Small Molecule
CTHH: C19H16FN3OS
PTK: 353.413
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
353.413
Monoisotopic mass
353.099811044
InChI
InChI=1S/C19H16FN3OS/c1-11(2)22-19-23-15-8-7-12(9-16(15)25-19)18-17(21-10-24-18)13-5-3-4-6-14(13)20/h3-11H,1-2H3,(H,22,23)
InChI Key
InChIKey=FQYJTHIYAQQJAB-UHFFFAOYSA-N
IUPAC Name
6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(propan-2-yl)-1,3-benzothiazol-2-amine
Traditional IUPAC Name
6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-isopropyl-1,3-benzothiazol-2-amine
SMILES
CC(C)NC1=NC2=C(S1)C=C(C=C2)C1=C(N=CO1)C1=CC=CC=C1F
Độ hòa tan
1.64e-02 g/l
logP
4.73
logS
-4.3
pKa (strongest acidic)
15.34
pKa (Strongest Basic)
2.99
PSA
50.95 Å2
Refractivity
96.67 m3·mol-1
Polarizability
36.91 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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