(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine
Thuốc Gốc
Small Molecule
CTHH: C18H21N5O2
PTK: 339.3916
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H21N5O2
Phân tử khối
339.3916
Monoisotopic mass
339.169524941
InChI
InChI=1S/C18H21N5O2/c19-13-11-23(10-12(13)17(24)22-7-3-4-8-22)18(25)16-9-20-14-5-1-2-6-15(14)21-16/h1-2,5-6,9,12-13H,3-4,7-8,10-11,19H2/t12-,13+/m1/s1
InChI Key
InChIKey=XDSKICAQKGYYJF-OLZOCXBDSA-N
IUPAC Name
(3R,4R)-4-[(pyrrolidin-1-yl)carbonyl]-1-[(quinoxalin-2-yl)carbonyl]pyrrolidin-3-amine
Traditional IUPAC Name
(3R,4R)-4-[(pyrrolidin-1-yl)carbonyl]-1-[(quinoxalin-2-yl)carbonyl]pyrrolidin-3-amine
SMILES
[H][C@]1(N)CN(C[C@@]1([H])C(=O)N1CCCC1)C(=O)C1=CN=C2C=CC=CC2=N1
Độ hòa tan
1.27e+00 g/l
logP
-0.21
logS
-2.4
pKa (Strongest Basic)
8.32
PSA
92.42 Å2
Refractivity
91.6 m3·mol-1
Polarizability
36.19 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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