N'-(2s,3r)-3-Amino-4-Cyclohexyl-2-Hydroxy-Butano-N-(4-Methylphenyl)Hydrazide
Thuốc Gốc
Small Molecule
CTHH: C17H27N3O2
PTK: 305.4152
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
305.4152
Monoisotopic mass
305.210327123
InChI
InChI=1S/C17H27N3O2/c1-12-7-9-14(10-8-12)19-20-17(22)16(21)15(18)11-13-5-3-2-4-6-13/h7-10,13,15-16,19,21H,2-6,11,18H2,1H3,(H,20,22)/t15-,16+/m1/s1
InChI Key
InChIKey=IQMLIGOOOFEBAH-CVEARBPZSA-N
IUPAC Name
(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N'-(4-methylphenyl)butanehydrazide
Traditional IUPAC Name
(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N'-(4-methylphenyl)butanehydrazide
SMILES
[H][C@@](N)(CC1CCCCC1)[C@]([H])(O)C(=O)NNC1=CC=C(C)C=C1
Độ hòa tan
9.52e-02 g/l
logP
2.72
logS
-3.5
pKa (strongest acidic)
12.45
pKa (Strongest Basic)
8.77
PSA
87.38 Å2
Refractivity
88.68 m3·mol-1
Polarizability
34.75 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading