Tìm theo
(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione
Thuốc Gốc
Small Molecule
CTHH: C18H18N2O4
PTK: 326.3465
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
326.3465
Monoisotopic mass
326.126657074
InChI
InChI=1S/C18H18N2O4/c21-13-5-1-11(2-6-13)9-15-17(23)20-16(18(24)19-15)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10H2,(H,19,24)(H,20,23)/t15-,16-/m0/s1
InChI Key
InChIKey=NGPCLOGFGKJCBP-HOTGVXAUSA-N
IUPAC Name
(3S,6S)-3,6-bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
Traditional IUPAC Name
(3S,6S)-3,6-bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
SMILES
[H][C@@]1(CC2=CC=C(O)C=C2)NC(=O)[C@]([H])(CC2=CC=C(O)C=C2)NC1=O
Độ hòa tan
1.47e-01 g/l
logP
1.63
logS
-3.4
pKa (strongest acidic)
9.19
pKa (Strongest Basic)
-4.5
PSA
98.66 Å2
Refractivity
87.79 m3·mol-1
Polarizability
32.23 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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