Tìm theo
ZK-806711
Thuốc Gốc
Small Molecule
CTHH: C27H30N6O
PTK: 454.5667
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C27H30N6O
Phân tử khối
454.5667
Monoisotopic mass
454.248109612
IUPAC Name
1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[(1-ethanimidoylpiperidin-4-yl)oxy]-2-methyl-1,3-benzodiazol-1-ium
Traditional IUPAC Name
1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[(1-ethanimidoylpiperidin-4-yl)oxy]-2-methyl-1,3-benzodiazol-1-ium
SMILES
CC(=N)N1CCC(CC1)Oc1ccc2nc(C)[n+](CC3=CC=C4C=CC(=CC4=C3)C(N)=N)c2c1
Độ hòa tan
2.22e-03 g/l
logP
-2.3
logS
-5.3
pKa (Strongest Basic)
12.45
PSA
102.96 Å2
Refractivity
156.1 m3·mol-1
Polarizability
50.51 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
3
Number of Rings
5
Bioavailability
1
Rule of Five
true
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