Tìm theo
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
Thuốc Gốc
Small Molecule
CTHH: C16H13FN2OS
PTK: 300.351
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H13FN2OS
Phân tử khối
300.351
Monoisotopic mass
300.073261943
InChI
InChI=1S/C16H13FN2OS/c17-13-7-3-1-6-11(13)15(20)19-16-12(9-18)10-5-2-4-8-14(10)21-16/h1,3,6-7H,2,4-5,8H2,(H,19,20)
InChI Key
InChIKey=YVYPYORTKAIUGJ-UHFFFAOYSA-N
IUPAC Name
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide
Traditional IUPAC Name
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide
SMILES
FC1=CC=CC=C1C(=O)NC1=C(C#N)C2=C(CCCC2)S1
Độ hòa tan
3.09e-03 g/l
logP
4.6
logS
-5
pKa (strongest acidic)
7.76
pKa (Strongest Basic)
-5
PSA
52.89 Å2
Refractivity
81.22 m3·mol-1
Polarizability
30.86 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB07217
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=766948
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99443688
ChemSpider
http://www.chemspider.com/Chemical-Structure.670663.html
... loading
... loading