3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE
Thuốc Gốc
Small Molecule
CTHH: C25H30N4O2
PTK: 418.5313
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
418.5313
Monoisotopic mass
418.236876224
InChI
InChI=1S/C25H30N4O2/c1-28(21-10-6-3-7-11-21)23(30)14-15-29-17-20-16-19(12-13-22(20)27-25(29)26)24(31)18-8-4-2-5-9-18/h2,4-5,8-9,12-13,16,21H,3,6-7,10-11,14-15,17H2,1H3,(H2,26,27)
InChI Key
InChIKey=KTRFBFMYAJOXLG-UHFFFAOYSA-N
IUPAC Name
3-(2-amino-6-benzoyl-3,4-dihydroquinazolin-3-yl)-N-cyclohexyl-N-methylpropanamide
Traditional IUPAC Name
3-(2-amino-6-benzoyl-4H-quinazolin-3-yl)-N-cyclohexyl-N-methylpropanamide
SMILES
CN(C1CCCCC1)C(=O)CCN1CC2=CC(=CC=C2N=C1N)C(=O)C1=CC=CC=C1
Độ hòa tan
2.42e-02 g/l
logP
3.35
logS
-4.2
pKa (Strongest Basic)
9.03
PSA
79 Å2
Refractivity
124.75 m3·mol-1
Polarizability
47.71 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
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