Tìm theo
(1R)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid
Thuốc Gốc
Small Molecule
CTHH: C13H14BNO3S
PTK: 275.131
(1R)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid is a solid. This compound belongs to the benzenes and substituted derivatives. These are aromatic compounds containing at least one benzene ring. This medication targets the protein beta-lactamase.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C13H14BNO3S
Phân tử khối
275.131
Monoisotopic mass
275.078744475
InChI
InChI=1S/C13H14BNO3S/c16-12(9-11-7-4-8-19-11)15-13(14(17)18)10-5-2-1-3-6-10/h1-8,13,17-18H,9H2,(H,15,16)/t13-/m0/s1
InChI Key
InChIKey=LGJCDEZMANATFA-ZDUSSCGKSA-N
IUPAC Name
[(R)-phenyl[2-(thiophen-2-yl)acetamido]methyl]boronic acid
Traditional IUPAC Name
(R)-phenyl[2-(thiophen-2-yl)acetamido]methylboronic acid
SMILES
[H][C@@](NC(=O)CC1=CC=CS1)(B(O)O)C1=CC=CC=C1
Độ hòa tan
3.73e-02 g/l
logP
2.78
logS
-3.9
pKa (strongest acidic)
12.72
pKa (Strongest Basic)
-3
PSA
69.56 Å2
Refractivity
69.27 m3·mol-1
Polarizability
28.59 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
3
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08552
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5289378
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99445023
ChemSpider
http://www.chemspider.com/Chemical-Structure.4451364.html
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