{(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IMINO]-2,3-DIHYDRO-1,3-THIAZOL-5-YL}(4-METHOXYPHENYL)METHANONE
Thuốc Gốc
Small Molecule
CTHH: C18H17N3O3S
PTK: 355.411
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
355.411
Monoisotopic mass
355.099062115
InChI
InChI=1S/C18H17N3O3S/c1-23-13-7-3-11(4-8-13)15(22)16-17(19)21-18(25-16)20-12-5-9-14(24-2)10-6-12/h3-10H,19H2,1-2H3,(H,20,21)
InChI Key
InChIKey=XQKUGFIWKSKCDL-UHFFFAOYSA-N
IUPAC Name
(2Z)-5-[(4-methoxyphenyl)carbonyl]-2-[(4-methoxyphenyl)imino]-2,3-dihydro-1,3-thiazol-4-amine
Traditional IUPAC Name
(2Z)-5-[(4-methoxyphenyl)carbonyl]-2-[(4-methoxyphenyl)imino]-3H-1,3-thiazol-4-amine
SMILES
COC1=CC=C(C=C1)\N=C1\NC(N)=C(S1)C(=O)C1=CC=C(OC)C=C1
Độ hòa tan
4.85e-02 g/l
logP
3.18
logS
-3.9
pKa (strongest acidic)
10.84
pKa (Strongest Basic)
3.78
PSA
85.94 Å2
Refractivity
110.57 m3·mol-1
Polarizability
38.31 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
6
H Bond Donor Count
2
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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