3-[(Acetyl-Methyl-Amino)-Methyl]-4-Amino-N-Methyl-N-(1-Methyl-1h-Indol-2-Ylmethyl)-Benzamide
Thuốc Gốc
Small Molecule
CTHH: C22H26N4O2
PTK: 378.4674
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
378.4674
Monoisotopic mass
378.205576096
InChI
InChI=1S/C22H26N4O2/c1-15(27)24(2)13-18-11-17(9-10-20(18)23)22(28)25(3)14-19-12-16-7-5-6-8-21(16)26(19)4/h5-12H,13-14,23H2,1-4H3
InChI Key
InChIKey=AWTBJNJPBKTHEV-UHFFFAOYSA-N
IUPAC Name
4-amino-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-[(N-methylacetamido)methyl]benzamide
Traditional IUPAC Name
4-amino-N-methyl-3-[(N-methylacetamido)methyl]-N-[(1-methylindol-2-yl)methyl]benzamide
SMILES
CN(CC1=C(N)C=CC(=C1)C(=O)N(C)CC1=CC2=C(C=CC=C2)N1C)C(C)=O
Độ hòa tan
3.46e-02 g/l
logP
1.58
logS
-4
pKa (Strongest Basic)
2.58
PSA
71.57 Å2
Refractivity
112.92 m3·mol-1
Polarizability
42.28 Å3
Rotatable Bond Count
5
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
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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