N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
Thuốc Gốc
Small Molecule
CTHH: C18H23N3O5S
PTK: 393.457
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
393.457
Monoisotopic mass
393.135841551
InChI
InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
InChI Key
InChIKey=BSIZUMJRKYHEBR-QGZVFWFLSA-N
IUPAC Name
(2R)-N-hydroxy-3-methyl-2-[N-(pyridin-3-ylmethyl)(4-methoxybenzene)sulfonamido]butanamide
Traditional IUPAC Name
(2R)-N-hydroxy-3-methyl-2-[N-(pyridin-3-ylmethyl)(4-methoxybenzene)sulfonamido]butanamide
SMILES
[H][C@](C(C)C)(N(CC1=CC=CN=C1)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO
Độ hòa tan
5.25e-02 g/l
logP
1.5
logS
-3.9
pKa (strongest acidic)
8.71
pKa (Strongest Basic)
4.81
PSA
108.83 Å2
Refractivity
100.09 m3·mol-1
Polarizability
39.07 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
0
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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