Adamantane-1-Carboxylic Acid-5-Dimethylamino-Naphthalene-1-Sulfonylamino-Octyl-Amide
Thuốc Gốc
Small Molecule
CTHH: C31H45N3O3S
PTK: 539.772
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
539.772
Monoisotopic mass
539.318163011
InChI
InChI=1S/C31H45N3O3S/c1-34(2)28-13-9-12-27-26(28)11-10-14-29(27)38(36,37)33-16-8-6-4-3-5-7-15-32-30(35)31-20-23-17-24(21-31)19-25(18-23)22-31/h9-14,23-25,33H,3-8,15-22H2,1-2H3,(H,32,35)/t23-,24+,25-,31-
InChI Key
InChIKey=FZFMMSSQQXCBGM-HTNXFJBJSA-N
IUPAC Name
N-{8-[5-(dimethylamino)naphthalene-1-sulfonamido]octyl}adamantane-1-carboxamide
Traditional IUPAC Name
N-{8-[5-(dimethylamino)naphthalene-1-sulfonamido]octyl}adamantane-1-carboxamide
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2
Độ hòa tan
1.33e-04 g/l
logP
5.88
logS
-6.6
pKa (strongest acidic)
9.91
pKa (Strongest Basic)
4.63
PSA
78.51 Å2
Refractivity
155.04 m3·mol-1
Polarizability
63.68 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
5
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading