N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
Thuốc Gốc
Small Molecule
CTHH: C26H23N3O
PTK: 393.4803
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
393.4803
Monoisotopic mass
393.184112373
InChI
InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)
InChI Key
InChIKey=GQXMJOSCBRZMKE-UHFFFAOYSA-N
IUPAC Name
N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
Traditional IUPAC Name
N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
SMILES
CC1=CC=CC=C1C1=NN=CC2=C1C=CC(=C2)C1=C(C)C=CC(=C1)C(=O)NC1CC1
Độ hòa tan
6.86e-04 g/l
logP
5.01
logS
-5.8
pKa (strongest acidic)
15.4
pKa (Strongest Basic)
2.54
PSA
54.88 Å2
Refractivity
121.38 m3·mol-1
Polarizability
44.63 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
5
Bioavailability
1
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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