(1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine
Thuốc Gốc
Small Molecule
CTHH: C16H25N3O7S2
PTK: 435.516
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
435.516
Monoisotopic mass
435.113391549
InChI
InChI=1S/C16H25N3O7S2/c1-3-4-9-26-13-5-7-14(8-6-13)28(24,25)19-11-12(18-27(2,22)23)10-15(19)16(20)17-21/h5-8,12,15,18,21H,3-4,9-11H2,1-2H3,(H,17,20)/t12-,15+/m0/s1
InChI Key
InChIKey=ULDXUWXTVRRUND-SWLSCSKDSA-N
IUPAC Name
(2R,4S)-1-[(4-butoxybenzene)sulfonyl]-N-hydroxy-4-methanesulfonamidopyrrolidine-2-carboxamide
Traditional IUPAC Name
(2R,4S)-1-(4-butoxybenzenesulfonyl)-N-hydroxy-4-methanesulfonamidopyrrolidine-2-carboxamide
SMILES
CCCCOC1=CC=C(C=C1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NS(C)(=O)=O
Độ hòa tan
4.59e-01 g/l
logP
-0.46
logS
-3
pKa (strongest acidic)
8.71
pKa (Strongest Basic)
-4.9
PSA
142.11 Å2
Refractivity
101.32 m3·mol-1
Polarizability
43.6 Å3
Rotatable Bond Count
7
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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