5-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-2(1H)-ONE
Thuốc Gốc
Small Molecule
CTHH: C20H28N2O2
PTK: 328.4485
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
328.4485
Monoisotopic mass
328.21507815
InChI
InChI=1S/C20H28N2O2/c1-6-17-15(3)21-20(23)19(22(4)10-11-24-5)18(17)13-16-9-7-8-14(2)12-16/h7-9,12H,6,10-11,13H2,1-5H3,(H,21,23)
InChI Key
InChIKey=USWKTQVAABDFSY-UHFFFAOYSA-N
IUPAC Name
5-ethyl-3-[(2-methoxyethyl)(methyl)amino]-6-methyl-4-[(3-methylphenyl)methyl]-1,2-dihydropyridin-2-one
Traditional IUPAC Name
5-ethyl-3-[(2-methoxyethyl)(methyl)amino]-6-methyl-4-[(3-methylphenyl)methyl]-1H-pyridin-2-one
SMILES
CCC1=C(C)NC(=O)C(N(C)CCOC)=C1CC1=CC=CC(C)=C1
Độ hòa tan
8.12e-02 g/l
logP
3.13
logS
-3.6
pKa (strongest acidic)
11.82
pKa (Strongest Basic)
4.42
PSA
41.57 Å2
Refractivity
101.5 m3·mol-1
Polarizability
37.88 Å3
Rotatable Bond Count
7
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