1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one
Thuốc Gốc
Small Molecule
CTHH: C26H28N4O3
PTK: 444.5255
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
444.5255
Monoisotopic mass
444.216140782
InChI
InChI=1S/C26H28N4O3/c31-23(29-17-8-13-22(29)25(32)28-15-6-7-16-28)14-18-30-21-12-5-4-11-20(21)27-24(26(30)33)19-9-2-1-3-10-19/h1-5,9-12,22H,6-8,13-18H2/t22-/m0/s1
InChI Key
InChIKey=KWCKZIJGKMCYCI-QFIPXVFZSA-N
IUPAC Name
1-{3-oxo-3-[(2S)-2-[(pyrrolidin-1-yl)carbonyl]pyrrolidin-1-yl]propyl}-3-phenyl-1,2-dihydroquinoxalin-2-one
Traditional IUPAC Name
1-{3-oxo-3-[(2S)-2-[(pyrrolidin-1-yl)carbonyl]pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2-one
SMILES
[H][C@]1(CCCN1C(=O)CCN1C(=O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C(=O)N1CCCC1
Độ hòa tan
6.60e-02 g/l
logP
2.25
logS
-3.8
pKa (Strongest Basic)
-1.4
PSA
73.29 Å2
Refractivity
127.26 m3·mol-1
Polarizability
48.36 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
4
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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