N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE
Thuốc Gốc
Small Molecule
CTHH: C19H20ClN5O4
PTK: 417.846
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
417.846
Monoisotopic mass
417.12038186
InChI
InChI=1S/C19H20ClN5O4/c1-26-14-6-5-11(7-13(14)20)23-18-21-10-22-19(25-18)24-12-8-15(27-2)17(29-4)16(9-12)28-3/h5-10H,1-4H3,(H2,21,22,23,24,25)
InChI Key
InChIKey=ZVWFECUPYCFYBL-UHFFFAOYSA-N
IUPAC Name
2-N-(3-chloro-4-methoxyphenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
Traditional IUPAC Name
2-N-(3-chloro-4-methoxyphenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILES
COC1=CC(NC2=NC=NC(NC3=CC(Cl)=C(OC)C=C3)=N2)=CC(OC)=C1OC
Độ hòa tan
2.60e-02 g/l
logP
4.07
logS
-4.2
pKa (strongest acidic)
12.28
pKa (Strongest Basic)
3.3
PSA
99.65 Å2
Refractivity
110.04 m3·mol-1
Polarizability
42.3 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
9
H Bond Donor Count
2
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
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading