6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL
Thuốc Gốc
Small Molecule
CTHH: C19H26N2O3
PTK: 330.4213
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
330.4213
Monoisotopic mass
330.194342708
InChI
InChI=1S/C19H26N2O3/c1-6-24-11-21-16(10-15-8-13(4)7-14(5)9-15)17(12(2)3)18(22)20-19(21)23/h7-9,12H,6,10-11H2,1-5H3,(H,20,22,23)
InChI Key
InChIKey=NVGVZWUORYLPAL-UHFFFAOYSA-N
IUPAC Name
6-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
Traditional IUPAC Name
6-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-isopropyl-3H-pyrimidine-2,4-dione
SMILES
CCOCN1C(=O)NC(=O)C(C(C)C)=C1CC1=CC(C)=CC(C)=C1
Độ hòa tan
4.63e-02 g/l
logP
3.8
logS
-3.9
pKa (strongest acidic)
10.23
pKa (Strongest Basic)
-3.9
PSA
58.64 Å2
Refractivity
95.49 m3·mol-1
Polarizability
37.22 Å3
Rotatable Bond Count
6
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
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