(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
Thuốc Gốc
Small Molecule
CTHH: C19H21N3O2
PTK: 323.3889
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H21N3O2
Phân tử khối
323.3889
Monoisotopic mass
323.163376931
InChI
InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21)/t19-/m0/s1
InChI Key
InChIKey=LQOCXPOKEPYGTJ-IBGZPJMESA-N
IUPAC Name
(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-3,4,5,6-tetrahydropyrimidin-4-one
Traditional IUPAC Name
(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILES
COC1=CC(=CC=C1)C1=CC(=CC=C1)[C@]1(C)CC(=O)N(C)C(N)=N1
Độ hòa tan
1.67e-02 g/l
logP
2.63
logS
-4.3
pKa (strongest acidic)
18.23
pKa (Strongest Basic)
6.58
PSA
67.92 Å2
Refractivity
93.34 m3·mol-1
Polarizability
36.02 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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