Tìm theo
6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL
Thuốc Gốc
Small Molecule
CTHH: C22H24N2O3
PTK: 364.4376
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
364.4376
Monoisotopic mass
364.178692644
InChI
InChI=1S/C22H24N2O3/c1-16(2)20-19(13-17-9-5-3-6-10-17)24(22(26)23-21(20)25)15-27-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,23,25,26)
InChI Key
InChIKey=KSAAUHMSLCPIEX-UHFFFAOYSA-N
IUPAC Name
6-benzyl-1-[(benzyloxy)methyl]-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
Traditional IUPAC Name
6-benzyl-1-[(benzyloxy)methyl]-5-isopropyl-3H-pyrimidine-2,4-dione
SMILES
CC(C)C1=C(CC2=CC=CC=C2)N(COCC2=CC=CC=C2)C(=O)NC1=O
Độ hòa tan
7.88e-03 g/l
logP
4.14
logS
-4.7
pKa (strongest acidic)
10.23
pKa (Strongest Basic)
-3.9
PSA
58.64 Å2
Refractivity
105.28 m3·mol-1
Polarizability
39.6 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
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