4-Imidazolmethylene-5-Imidazolone Chromophore
Thuốc Gốc
Small Molecule
CTHH: C11H17N5O3
PTK: 267.289
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H17N5O3
Phân tử khối
267.289
Monoisotopic mass
267.133139427
InChI
InChI=1S/C11H17N5O3/c12-8(5-18)10-15-9(3-7-4-13-6-14-7)11(19)16(10)1-2-17/h4,6,8,10,17-18H,1-3,5,12H2,(H,13,14)/t8-,10-/m1/s1
InChI Key
InChIKey=LWCBBOVTPGIKRM-PSASIEDQSA-N
IUPAC Name
(2R)-2-[(1S)-1-amino-2-hydroxyethyl]-1-(2-hydroxyethyl)-4-[(1H-imidazol-5-yl)methyl]-2,5-dihydro-1H-imidazol-5-one
Traditional IUPAC Name
(2R)-2-[(1S)-1-amino-2-hydroxyethyl]-3-(2-hydroxyethyl)-5-(3H-imidazol-4-ylmethyl)-2H-imidazol-4-one
SMILES
N[C@H](CO)[C@@H]1N=C(CC2=CN=CN2)C(=O)N1CCO
Độ hòa tan
4.76e+00 g/l
logP
-2.4
logS
-1.8
pKa (strongest acidic)
11.65
pKa (Strongest Basic)
8.12
PSA
127.83 Å2
Refractivity
67.09 m3·mol-1
Polarizability
26.33 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
6
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
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