N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide
Thuốc Gốc
Small Molecule
CTHH: C22H27NO7
PTK: 417.4523
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
417.4523
Monoisotopic mass
417.178752223
InChI
InChI=1S/C22H27NO7/c1-17(24)23-18-6-7-21-22(16-18)30-15-11-26-9-13-28-20-5-3-2-4-19(20)27-12-8-25-10-14-29-21/h2-7,16H,8-15H2,1H3,(H,23,24)
InChI Key
InChIKey=YHKGWOJTUMJPNW-UHFFFAOYSA-N
IUPAC Name
N-{2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0^{9,14}]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl}acetamide
Traditional IUPAC Name
N-{2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0^{9,14}]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl}acetamide
SMILES
CC(=O)NC1=CC=C2OCCOCCOC3=C(OCCOCCOC2=C1)C=CC=C3
Độ hòa tan
1.88e-02 g/l
logP
2.12
logS
-4.3
pKa (strongest acidic)
14.48
pKa (Strongest Basic)
-3.6
PSA
84.48 Å2
Refractivity
110.98 m3·mol-1
Polarizability
45.33 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
7
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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