2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL
Thuốc Gốc
Small Molecule
CTHH: C17H21N5O2
PTK: 327.3809
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
327.3809
Monoisotopic mass
327.169524941
InChI
InChI=1S/C17H21N5O2/c1-11-8-15(22-19-14(4)18-21-22)9-12(2)17(11)23-7-5-6-16-10-13(3)20-24-16/h8-10H,5-7H2,1-4H3
InChI Key
InChIKey=DRCNRTRGWUYJBH-UHFFFAOYSA-N
IUPAC Name
2-{3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-5-methyl-2H-1,2,3,4-tetrazole
Traditional IUPAC Name
2-{3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-5-methyl-1,2,3,4-tetrazole
SMILES
CC1=NOC(CCCOC2=C(C)C=C(C=C2C)N2N=NC(C)=N2)=C1
Độ hòa tan
1.06e-01 g/l
logP
3.38
logS
-3.5
pKa (Strongest Basic)
1.64
PSA
78.86 Å2
Refractivity
104.21 m3·mol-1
Polarizability
36.84 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
5
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading