2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride
Thuốc Gốc
Small Molecule
CTHH: C24H16N7O2S
PTK: 466.495
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C24H16N7O2S
Phân tử khối
466.495
Monoisotopic mass
466.108618481
InChI
InChI=1S/C24H15N7O2S/c32-22-17-12-11-16(14-18(17)23(33)27-26-22)30-28-21(13-10-15-6-2-1-3-7-15)29-31(30)24-25-19-8-4-5-9-20(19)34-24/h1-14H,(H,28,29)/p+1/b13-10+
InChI Key
InChIKey=BEIGFKLRGRRJJA-JLHYYAGUSA-O
IUPAC Name
3-(1,3-benzothiazol-2-yl)-2-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(E)-2-phenylethenyl]-3H-1,2$l^{5},3,4-tetrazol-2-ylium
Traditional IUPAC Name
3-(1,3-benzothiazol-2-yl)-2-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-5-[(E)-2-phenylethenyl]-1,2$l^{5},3,4-tetrazol-2-ylium
SMILES
O=C1NNC(=O)C2=CC(=CC=C12)[N+]1=NC(\C=C\C2=CC=CC=C2)=NN1C1=NC2=C(S1)C=CC=C2
Độ hòa tan
2.81e-03 g/l
logP
2.28
logS
-5.2
pKa (strongest acidic)
10.01
pKa (Strongest Basic)
-0.54
PSA
105.68 Å2
Refractivity
151.03 m3·mol-1
Polarizability
48.48 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
6
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading