(2-ACETYL-5-METHYLANILINO)(2,6-DIBROMOPHENYL)ACETAMIDE
Thuốc Gốc
Small Molecule
CTHH: C17H16Br2N2O2
PTK: 440.129
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
440.129
Monoisotopic mass
437.95785306
InChI
InChI=1S/C17H16Br2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)/t16-/m0/s1
InChI Key
InChIKey=FELUFXCUIYHAPB-INIZCTEOSA-N
IUPAC Name
(2S)-2-[(2-acetyl-5-methylphenyl)amino]-2-(2,6-dibromophenyl)acetamide
Traditional IUPAC Name
(2S)-2-[(2-acetyl-5-methylphenyl)amino]-2-(2,6-dibromophenyl)acetamide
SMILES
[H][C@@](NC1=CC(C)=CC=C1C(C)=O)(C(N)=O)C1=C(Br)C=CC=C1Br
Độ hòa tan
1.04e-03 g/l
logP
4.31
logS
-5.6
pKa (strongest acidic)
12.16
pKa (Strongest Basic)
-0.67
PSA
72.19 Å2
Refractivity
99.21 m3·mol-1
Polarizability
37 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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