(4'-{[Allyl(Methyl)Amino]Methyl}-1,1'-Biphenyl-4-Yl)(4-Bromophenyl)Methanone
Thuốc Gốc
Small Molecule
CTHH: C24H22BrNO
PTK: 420.342
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C24H22BrNO
Phân tử khối
420.342
Monoisotopic mass
419.088476978
InChI
InChI=1S/C24H22BrNO/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22/h3-15H,1,16-17H2,2H3
InChI Key
InChIKey=YATCZCSDJCQNAL-UHFFFAOYSA-N
IUPAC Name
[(4-{4-[(4-bromophenyl)carbonyl]phenyl}phenyl)methyl](methyl)(prop-2-en-1-yl)amine
Traditional IUPAC Name
[(4-{4-[(4-bromophenyl)carbonyl]phenyl}phenyl)methyl](methyl)prop-2-en-1-ylamine
SMILES
CN(CC=C)CC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)C1=CC=C(Br)C=C1
Độ hòa tan
8.61e-05 g/l
logP
6.52
logS
-6.7
pKa (Strongest Basic)
8.53
PSA
20.31 Å2
Refractivity
117.1 m3·mol-1
Polarizability
44.21 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
1
Number of Rings
3
Bioavailability
1
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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