Tìm theo
6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Thuốc Gốc
Small Molecule
CTHH: C14H12N6OS
PTK: 312.35
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H12N6OS
Phân tử khối
312.35
Monoisotopic mass
312.079329726
InChI
InChI=1S/C14H12N6OS/c15-13-17-9-5-11-10(4-8(9)12(21)20-13)18-14(19-11)16-6-7-2-1-3-22-7/h1-5H,6H2,(H2,16,18,19)(H3,15,17,20,21)
InChI Key
InChIKey=IQKMJWDYMFWZRF-UHFFFAOYSA-N
IUPAC Name
6-amino-2-[(thiophen-2-ylmethyl)amino]-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Traditional IUPAC Name
6-amino-2-[(thiophen-2-ylmethyl)amino]-1H,7H-imidazo[4,5-g]quinazolin-8-one
SMILES
NC1=NC2=CC3=C(NC(NCC4=CC=CS4)=N3)C=C2C(=O)N1
Độ hòa tan
1.24e-01 g/l
logP
1.58
logS
-3.4
pKa (strongest acidic)
10.91
pKa (Strongest Basic)
4.85
PSA
108.19 Å2
Refractivity
86.27 m3·mol-1
Polarizability
32.74 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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