(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide
Thuốc Gốc
Small Molecule
CTHH: C16H16N2O3
PTK: 284.3098
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
284.3098
Monoisotopic mass
284.116092388
InChI
InChI=1S/C16H16N2O3/c1-18-11-13(10-14(18)7-8-16(20)17-21)15(19)9-12-5-3-2-4-6-12/h2-8,10-11,21H,9H2,1H3,(H,17,20)/b8-7+
InChI Key
InChIKey=UFQOXIMRSMFQRI-BQYQJAHWSA-N
IUPAC Name
(2E)-N-hydroxy-3-[1-methyl-4-(2-phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide
Traditional IUPAC Name
(2E)-N-hydroxy-3-[1-methyl-4-(2-phenylacetyl)pyrrol-2-yl]prop-2-enamide
SMILES
CN1C=C(C=C1\C=C\C(=O)NO)C(=O)CC1=CC=CC=C1
Độ hòa tan
5.39e-02 g/l
logP
1.94
logS
-3.7
pKa (strongest acidic)
9.52
pKa (Strongest Basic)
-5.2
PSA
71.33 Å2
Refractivity
81.3 m3·mol-1
Polarizability
30.18 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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