Tìm theo
4-[3-Methylsulfanylanilino]-6,7-Dimethoxyquinazoline
Thuốc Gốc
Small Molecule
CTHH: C17H17N3O2S
PTK: 327.401
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
327.401
Monoisotopic mass
327.104147493
InChI
InChI=1S/C17H17N3O2S/c1-21-15-8-13-14(9-16(15)22-2)18-10-19-17(13)20-11-5-4-6-12(7-11)23-3/h4-10H,1-3H3,(H,18,19,20)
InChI Key
InChIKey=FUSDVOSGGMBSMK-UHFFFAOYSA-N
IUPAC Name
6,7-dimethoxy-N-[3-(methylsulfanyl)phenyl]quinazolin-4-amine
Traditional IUPAC Name
6,7-dimethoxy-N-[3-(methylsulfanyl)phenyl]quinazolin-4-amine
SMILES
COC1=CC2=NC=NC(NC3=CC(SC)=CC=C3)=C2C=C1OC
Độ hòa tan
4.55e-03 g/l
logP
3.77
logS
-4.9
pKa (strongest acidic)
16.13
pKa (Strongest Basic)
4.62
PSA
56.27 Å2
Refractivity
93.29 m3·mol-1
Polarizability
35.19 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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