10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine
Thuốc Gốc
Small Molecule
CTHH: C19H18N4O2
PTK: 334.3718
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
334.3718
Monoisotopic mass
334.14297584
InChI
InChI=1S/C19H18N4O2/c1-9-13(20)5-4-10-17-11-6-15(24-2)16(25-3)7-14(11)22-8-12(17)19(21)23-18(9)10/h4-8H,20H2,1-3H3,(H2,21,23)
InChI Key
InChIKey=NVINUNQBDNEMSY-UHFFFAOYSA-N
IUPAC Name
15,16-dimethoxy-6-methyl-8,12-diazatetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene-5,9-diamine
Traditional IUPAC Name
15,16-dimethoxy-6-methyl-8,12-diazatetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene-5,9-diamine
SMILES
COC1=CC2=NC=C3C(N)=NC4=C(C)C(N)=CC=C4C3=C2C=C1OC
Độ hòa tan
1.09e-02 g/l
logP
2.41
logS
-4.5
pKa (Strongest Basic)
5.96
PSA
96.28 Å2
Refractivity
98.03 m3·mol-1
Polarizability
36.3 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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