{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-3-OXOPROPYL]PHENYL}SULFAMIC ACID
Thuốc Gốc
Small Molecule
CTHH: C19H21NO7S
PTK: 407.438
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
407.438
Monoisotopic mass
407.103872721
InChI
InChI=1S/C19H21NO7S/c1-26-17(21)19(18(22)27-2,12-14-6-4-3-5-7-14)13-15-8-10-16(11-9-15)20-28(23,24)25/h3-11,20H,12-13H2,1-2H3,(H,23,24,25)
InChI Key
InChIKey=SUACYXRSGYYBGT-UHFFFAOYSA-N
IUPAC Name
N-{4-[2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid
Traditional IUPAC Name
N-{4-[2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid
SMILES
COC(=O)C(CC1=CC=CC=C1)(CC1=CC=C(NS(O)(=O)=O)C=C1)C(=O)OC
Độ hòa tan
6.57e-03 g/l
logP
2.71
logS
-4.8
pKa (strongest acidic)
-1.4
pKa (Strongest Basic)
-6.9
PSA
119 Å2
Refractivity
100.92 m3·mol-1
Polarizability
40.11 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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