(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE
Thuốc Gốc
Small Molecule
CTHH: C17H15IN2O2
PTK: 406.2177
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
406.2177
Monoisotopic mass
406.017821154
InChI
InChI=1S/C17H15IN2O2/c1-3-14-11(2)20-17(21)15(18)16(14)22-13-8-4-6-12(10-13)7-5-9-19/h4-8,10H,3H2,1-2H3,(H,20,21)/b7-5+
InChI Key
InChIKey=XMFUXIRAVPMVRS-FNORWQNLSA-N
IUPAC Name
(2E)-3-{3-[(5-ethyl-3-iodo-6-methyl-2-oxo-1,2-dihydropyridin-4-yl)oxy]phenyl}prop-2-enenitrile
Traditional IUPAC Name
(2E)-3-{3-[(3-ethyl-5-iodo-2-methyl-6-oxo-1H-pyridin-4-yl)oxy]phenyl}prop-2-enenitrile
SMILES
CCC1=C(C)NC(=O)C(I)=C1OC1=CC=CC(\C=C\C#N)=C1
Độ hòa tan
1.74e-02 g/l
logP
3.68
logS
-4.4
pKa (strongest acidic)
10.34
pKa (Strongest Basic)
-4.7
PSA
62.12 Å2
Refractivity
98.23 m3·mol-1
Polarizability
35.5 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading