N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide
Thuốc Gốc
Small Molecule
CTHH: C20H23N3O7S
PTK: 449.478
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
449.478
Monoisotopic mass
449.125670795
InChI
InChI=1S/C20H23N3O7S/c1-29-16-7-9-17(10-8-16)31(27,28)23-12-11-22(13-18(23)19(24)21-26)20(25)30-14-15-5-3-2-4-6-15/h2-10,18,26H,11-14H2,1H3,(H,21,24)/t18-/m1/s1
InChI Key
InChIKey=DNGGPLKVDUPXFN-GOSISDBHSA-N
IUPAC Name
benzyl (3R)-3-(hydroxycarbamoyl)-4-[(4-methoxybenzene)sulfonyl]piperazine-1-carboxylate
Traditional IUPAC Name
benzyl (3R)-3-(hydroxycarbamoyl)-4-(4-methoxybenzenesulfonyl)piperazine-1-carboxylate
SMILES
[H][C@@]1(CN(CCN1S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)OCC1=CC=CC=C1)C(=O)NO
Độ hòa tan
1.45e-01 g/l
logP
1.17
logS
-3.5
pKa (strongest acidic)
8.7
pKa (Strongest Basic)
-4.8
PSA
125.48 Å2
Refractivity
110.45 m3·mol-1
Polarizability
44.74 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
6
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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