1-Benzyl-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide
Thuốc Gốc
Small Molecule
CTHH: C19H21N3O6S
PTK: 419.452
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
419.452
Monoisotopic mass
419.115106109
InChI
InChI=1S/C19H21N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-13-21(12-14-5-3-2-4-6-14)18(23)11-17(22)19(24)20-25/h2-10,17,25H,11-13H2,1H3,(H,20,24)/t17-/m1/s1
InChI Key
InChIKey=SUSMVCKSLVPRCL-QGZVFWFLSA-N
IUPAC Name
(4R)-1-benzyl-N-hydroxy-3-[(4-methoxybenzene)sulfonyl]-6-oxo-1,3-diazinane-4-carboxamide
Traditional IUPAC Name
(4R)-1-benzyl-N-hydroxy-3-(4-methoxybenzenesulfonyl)-6-oxo-1,3-diazinane-4-carboxamide
SMILES
[H][C@@]1(CC(=O)N(CC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO
Độ hòa tan
1.95e-01 g/l
logP
0.77
logS
-3.3
pKa (strongest acidic)
8.71
pKa (Strongest Basic)
-2.8
PSA
116.25 Å2
Refractivity
103.74 m3·mol-1
Polarizability
41.1 Å3
Rotatable Bond Count
5
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
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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