1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE
Thuốc Gốc
Small Molecule
CTHH: C19H21N3O3
PTK: 339.3883
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
339.3883
Monoisotopic mass
339.158291553
InChI
InChI=1S/C19H21N3O3/c1-13(23)18(22-11-17(19(20)24)21-12-22)8-9-25-16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10-13,18,23H,8-9H2,1H3,(H2,20,24)/t13-,18+/m0/s1
InChI Key
InChIKey=UYAJDVNLQJVRHD-SCLBCKFNSA-N
IUPAC Name
1-[(3R,4S)-4-hydroxy-1-(naphthalen-2-yloxy)pentan-3-yl]-1H-imidazole-4-carboxamide
Traditional IUPAC Name
1-[(3R,4S)-4-hydroxy-1-(naphthalen-2-yloxy)pentan-3-yl]imidazole-4-carboxamide
SMILES
[H][C@@](C)(O)[C@@]([H])(CCOC1=CC2=C(C=CC=C2)C=C1)N1C=NC(=C1)C(N)=O
Độ hòa tan
3.69e-02 g/l
logP
1.79
logS
-4
pKa (strongest acidic)
13.88
pKa (Strongest Basic)
3.53
PSA
90.37 Å2
Refractivity
94.87 m3·mol-1
Polarizability
36.33 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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