N-(6-{[3-(4-Bromophenyl)-1,2-Benzisothiazol-6-Yl]Oxy}Hexyl)-N-Methylprop-2-En-1-Amine
Thuốc Gốc
Small Molecule
CTHH: C23H27BrN2OS
PTK: 459.442
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
459.442
Monoisotopic mass
458.102746833
InChI
InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-12-13-21-22(17-20)28-25-23(21)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
InChI Key
InChIKey=UCIDPJLYUKNYFZ-UHFFFAOYSA-N
IUPAC Name
(6-{[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy}hexyl)(methyl)(prop-2-en-1-yl)amine
Traditional IUPAC Name
(6-{[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy}hexyl)(methyl)prop-2-en-1-ylamine
SMILES
CN(CCCCCCOC1=CC=C2C(SN=C2C2=CC=C(Br)C=C2)=C1)CC=C
Độ hòa tan
6.02e-04 g/l
logP
6.9
logS
-5.9
pKa (Strongest Basic)
9.42
PSA
25.36 Å2
Refractivity
122.98 m3·mol-1
Polarizability
49.1 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
3
H Bond Donor Count
0
Physiological Charge
1
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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