(2e)-N-Allyl-4-{[3-(4-Bromophenyl)-5-Fluoro-1-Methyl-1h-Indazol-6-Yl]Oxy}-N-Methyl-2-Buten-1-Amine
Thuốc Gốc
Small Molecule
CTHH: C22H23BrFN3O
PTK: 444.34
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
444.34
Monoisotopic mass
443.100853225
InChI
InChI=1S/C22H23BrFN3O/c1-4-11-26(2)12-5-6-13-28-21-15-20-18(14-19(21)24)22(25-27(20)3)16-7-9-17(23)10-8-16/h4-10,14-15H,1,11-13H2,2-3H3/b6-5+
InChI Key
InChIKey=YDWPQZUWZDRRSE-AATRIKPKSA-N
IUPAC Name
[(2E)-4-{[3-(4-bromophenyl)-5-fluoro-1-methyl-1H-indazol-6-yl]oxy}but-2-en-1-yl](methyl)(prop-2-en-1-yl)amine
Traditional IUPAC Name
[(2E)-4-{[3-(4-bromophenyl)-5-fluoro-1-methylindazol-6-yl]oxy}but-2-en-1-yl](methyl)prop-2-en-1-ylamine
SMILES
CN(CC=C)C\C=C\COC1=CC2=C(C=C1F)C(=NN2C)C1=CC=C(Br)C=C1
Độ hòa tan
2.41e-03 g/l
logP
5.48
logS
-5.3
pKa (Strongest Basic)
8.56
PSA
30.29 Å2
Refractivity
127.86 m3·mol-1
Polarizability
44.84 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
3
H Bond Donor Count
0
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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