4-Dimethylamino-N-(6-Hydroxycarbamoyethyl)Benzamide-N-Hydroxy-7-(4-Dimethyla Minobenzoyl)Aminoheptan
Thuốc Gốc
Small Molecule
CTHH: C16H25N3O3
PTK: 307.388
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H25N3O3
Phân tử khối
307.388
Monoisotopic mass
307.189591681
InChI
InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,15,20H,3-7,12H2,1-2H3,(H,17,21)/t15-/m1/s1
InChI Key
InChIKey=MXWDXXXCTLNLQS-OAHLLOKOSA-N
IUPAC Name
4-(dimethylamino)-N-[(7R)-7-hydroxy-7-nitrosoheptyl]benzamide
Traditional IUPAC Name
4-(dimethylamino)-N-[(7R)-7-hydroxy-7-nitrosoheptyl]benzamide
SMILES
[H][C@@](O)(CCCCCCNC(=O)C1=CC=C(C=C1)N(C)C)N=O
Độ hòa tan
2.20e-01 g/l
logP
2.26
logS
-3.1
pKa (strongest acidic)
11.74
pKa (Strongest Basic)
3.49
PSA
82 Å2
Refractivity
86.79 m3·mol-1
Polarizability
35.16 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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