N-Hydroxy 1n(4-Methoxyphenyl)Sulfonyl-4-(Z,E-N-Methoxyimino)Pyrrolidine-2r-Carboxamide
Thuốc Gốc
Small Molecule
CTHH: C13H19N3O6S
PTK: 345.371
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
345.371
Monoisotopic mass
345.099456045
InChI
InChI=1S/C13H19N3O6S/c1-21-10-3-5-11(6-4-10)23(19,20)16-8-9(15-22-2)7-12(16)13(17)14-18/h3-6,9,12,15,18H,7-8H2,1-2H3,(H,14,17)/t9-,12+/m0/s1
InChI Key
InChIKey=OJLWCTMBGWSVFC-JOYOIKCWSA-N
IUPAC Name
(2R,4S)-N-hydroxy-4-(methoxyamino)-1-[(4-methoxybenzene)sulfonyl]pyrrolidine-2-carboxamide
Traditional IUPAC Name
(2R,4S)-N-hydroxy-4-(methoxyamino)-1-(4-methoxybenzenesulfonyl)pyrrolidine-2-carboxamide
SMILES
CON[C@H]1C[C@@H](N(C1)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO
Độ hòa tan
2.32e+00 g/l
logP
-0.61
logS
-2.2
pKa (strongest acidic)
8.71
pKa (Strongest Basic)
3.92
PSA
117.2 Å2
Refractivity
91.15 m3·mol-1
Polarizability
33.55 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
7
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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