Tìm theo
2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide
Thuốc Gốc
Small Molecule
CTHH: C15H13N3O2
PTK: 267.2826
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H13N3O2
Phân tử khối
267.2826
Monoisotopic mass
267.100776675
InChI
InChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
InChI Key
InChIKey=NVVWVYYHTKCIAE-UHFFFAOYSA-N
IUPAC Name
2-(3-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
Traditional IUPAC Name
2-(3-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
SMILES
COC1=CC=CC(=C1)C1=NC2=C(N1)C=CC=C2C(N)=O
Độ hòa tan
1.00e-01 g/l
logP
1.98
logS
-3.4
pKa (strongest acidic)
10.33
pKa (Strongest Basic)
4.07
PSA
81 Å2
Refractivity
85.61 m3·mol-1
Polarizability
28.62 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
3
H Bond Donor Count
2
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/DB04010
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=1511
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505442
ChemSpider
http://www.chemspider.com/Chemical-Structure.1459.html
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