N,N'-DIMETHYL-N-(ACETYL)-N'-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
Thuốc Gốc
Small Molecule
CTHH: C12H15N5O4
PTK: 293.2786
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
293.2786
Monoisotopic mass
293.112403993
InChI
InChI=1S/C12H15N5O4/c1-8(18)15(2)6-7-16(3)9-4-5-10(17(19)20)12-11(9)13-21-14-12/h4-5H,6-7H2,1-3H3
InChI Key
InChIKey=YSVJZZZGPPWEIC-UHFFFAOYSA-N
IUPAC Name
N-methyl-N-{2-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethyl}acetamide
Traditional IUPAC Name
N-methyl-N-{2-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethyl}acetamide
SMILES
CN(CCN(C)C1=CC=C(C2=NON=C12)[N+]([O-])=O)C(C)=O
Độ hòa tan
5.03e-01 g/l
logP
0.62
logS
-2.8
pKa (Strongest Basic)
-0.79
PSA
108.29 Å2
Refractivity
76.18 m3·mol-1
Polarizability
28.04 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
6
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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