Allyl-{6-[3-(4-Bromo-Phenyl)-1-Methyl-1h-Indazol-6-Yl]Oxy}Hexyl)-N-Methylamine
Thuốc Gốc
Small Molecule
CTHH: C24H30BrN3O
PTK: 456.419
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C24H30BrN3O
Phân tử khối
456.419
Monoisotopic mass
455.157225244
InChI
InChI=1S/C24H30BrN3O/c1-4-15-27(2)16-7-5-6-8-17-29-21-13-14-22-23(18-21)28(3)26-24(22)19-9-11-20(25)12-10-19/h4,9-14,18H,1,5-8,15-17H2,2-3H3
InChI Key
InChIKey=FNZKIJOTNKEJBF-UHFFFAOYSA-N
IUPAC Name
(6-{[3-(4-bromophenyl)-1-methyl-1H-indazol-6-yl]oxy}hexyl)(methyl)(prop-2-en-1-yl)amine
Traditional IUPAC Name
(6-{[3-(4-bromophenyl)-1-methylindazol-6-yl]oxy}hexyl)(methyl)prop-2-en-1-ylamine
SMILES
CN(CCCCCCOC1=CC=C2C(=C1)N(C)N=C2C1=CC=C(Br)C=C1)CC=C
Độ hòa tan
1.82e-03 g/l
logP
6.28
logS
-5.4
pKa (Strongest Basic)
9.42
PSA
30.29 Å2
Refractivity
136.03 m3·mol-1
Polarizability
49.91 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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