Tìm theo
Bb-3497
Thuốc Gốc
Small Molecule
CAS: 235784-88-0
CTHH: C16H31N3O4
PTK: 329.435
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
329.435
Monoisotopic mass
329.231456495
InChI
InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1
InChI Key
InChIKey=AVDLWYHBABSSHC-CHWSQXEVSA-N
IUPAC Name
(2R)-N-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-2-[(N-hydroxyformamido)methyl]hexanamide
Traditional IUPAC Name
(2R)-N-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-2-[(N-hydroxyformamido)methyl]hexanamide
SMILES
[H][C@@](CCCC)(CN(O)C=O)C(=O)N[C@]([H])(C(=O)N(C)C)C(C)(C)C
Độ hòa tan
1.50e+00 g/l
logP
1.1
logS
-2.3
pKa (strongest acidic)
8.39
pKa (Strongest Basic)
-0.44
PSA
89.95 Å2
Refractivity
88.1 m3·mol-1
Polarizability
36.39 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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