(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
Thuốc Gốc
Small Molecule
CTHH: C19H14N2O6
PTK: 366.3243
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H14N2O6
Phân tử khối
366.3243
Monoisotopic mass
366.08518619
InChI
InChI=1S/C19H14N2O6/c1-10(22)27-16(11-6-3-2-4-7-11)19(26)20-13-9-5-8-12-14(13)15(23)18(25)21-17(12)24/h2-9,16H,1H3,(H,20,26)(H,21,24,25)/t16-/m0/s1
InChI Key
InChIKey=NKBDSMREMMRFSI-INIZCTEOSA-N
IUPAC Name
(S)-phenyl[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamoyl]methyl acetate
Traditional IUPAC Name
(S)-phenyl[(1,3,4-trioxo-2H-isoquinolin-5-yl)carbamoyl]methyl acetate
SMILES
[H][C@@](OC(C)=O)(C(=O)NC1=CC=CC2=C1C(=O)C(=O)NC2=O)C1=CC=CC=C1
Độ hòa tan
1.26e-02 g/l
logP
2
logS
-4.5
pKa (strongest acidic)
5.51
pKa (Strongest Basic)
-7
PSA
118.64 Å2
Refractivity
94.33 m3·mol-1
Polarizability
34.93 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
5
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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