(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
Thuốc Gốc
Small Molecule
CTHH: C19H16N2O2
PTK: 304.3425
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
304.3425
Monoisotopic mass
304.121177766
InChI
InChI=1S/C19H16N2O2/c20-12-17(18(22)15-6-7-15)19(23)21-16-10-8-14(9-11-16)13-4-2-1-3-5-13/h1-5,8-11,15,22H,6-7H2,(H,21,23)/b18-17-
InChI Key
InChIKey=CAGGGMPTWTUYHZ-ZCXUNETKSA-N
IUPAC Name
(2Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-phenylphenyl)prop-2-enamide
Traditional IUPAC Name
(2Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-phenylphenyl)prop-2-enamide
SMILES
O\C(C1CC1)=C(\C#N)C(=O)NC1=CC=C(C=C1)C1=CC=CC=C1
Độ hòa tan
8.32e-03 g/l
logP
3.33
logS
-4.6
pKa (strongest acidic)
6.01
pKa (Strongest Basic)
-2.6
PSA
73.12 Å2
Refractivity
90.75 m3·mol-1
Polarizability
33.31 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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