Tìm theo
1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE
Thuốc Gốc
Small Molecule
CTHH: C20H22FN5O
PTK: 367.42
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
367.42
Monoisotopic mass
367.180838556
InChI
InChI=1S/C20H22FN5O/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-12,22H2,(H2,23,25)
InChI Key
InChIKey=SFPCNWQWKOUNRT-UHFFFAOYSA-N
IUPAC Name
1-{[4-(aminomethyl)phenyl]carbonyl}-5'-fluoro-1'H-spiro[piperidine-4,2'-quinazoline]-4'-amine
Traditional IUPAC Name
1-{[4-(aminomethyl)phenyl]carbonyl}-5'-fluoro-1'H-spiro[piperidine-4,2'-quinazoline]-4'-amine
SMILES
NCC1=CC=C(C=C1)C(=O)N1CCC2(CC1)NC1=CC=CC(F)=C1C(N)=N2
Độ hòa tan
7.87e-02 g/l
logP
1.72
logS
-3.7
pKa (strongest acidic)
11.7
pKa (Strongest Basic)
9.37
PSA
96.74 Å2
Refractivity
103.87 m3·mol-1
Polarizability
39.06 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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