N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide
Thuốc Gốc
Small Molecule
CTHH: C19H25N3O4
PTK: 359.4195
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
359.4195
Monoisotopic mass
359.184506303
InChI
InChI=1S/C19H25N3O4/c1-2-3-7-14(12-21(25)13-23)19(24)22-11-6-9-16(22)18-20-15-8-4-5-10-17(15)26-18/h4-5,8,10,13-14,16,25H,2-3,6-7,9,11-12H2,1H3/t14-,16+/m1/s1
InChI Key
InChIKey=QDDZLTVSNABZIK-ZBFHGGJFSA-N
IUPAC Name
N-[(2R)-3-[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-2-butyl-3-oxopropyl]-N-hydroxyformamide
Traditional IUPAC Name
N-[(2R)-3-[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-2-butyl-3-oxopropyl]-N-hydroxyformamide
SMILES
[H][C@@](CCCC)(CN(O)C=O)C(=O)N1CCC[C@@]1([H])C1=NC2=C(O1)C=CC=C2
Độ hòa tan
1.60e-01 g/l
logP
2.14
logS
-3.4
pKa (strongest acidic)
8.39
pKa (Strongest Basic)
-0.37
PSA
86.88 Å2
Refractivity
95.3 m3·mol-1
Polarizability
38.87 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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