2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Thuốc Gốc
Small Molecule
CTHH: C22H15NO6
PTK: 389.3576
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
389.3576
Monoisotopic mass
389.089937217
InChI
InChI=1S/C22H15NO6/c24-19-16-9-8-14(21(26)27)10-17(16)20(25)23(19)18(22(28)29)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,18H,11H2,(H,26,27)(H,28,29)/t18-/m1/s1
InChI Key
InChIKey=CZNPWASYMRBJCX-GOSISDBHSA-N
IUPAC Name
2-[(1R)-1-carboxy-2-(naphthalen-1-yl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Traditional IUPAC Name
2-[(1R)-1-carboxy-2-(naphthalen-1-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
SMILES
[H][C@](CC1=CC=CC2=CC=CC=C12)(N1C(=O)C2=CC=C(C=C2C1=O)C(O)=O)C(O)=O
Độ hòa tan
6.74e-03 g/l
logP
3.27
logS
-4.8
pKa (strongest acidic)
3.07
pKa (Strongest Basic)
-7
PSA
111.98 Å2
Refractivity
103.12 m3·mol-1
Polarizability
39.03 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
-2
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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