N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE
Thuốc Gốc
Small Molecule
CTHH: C14H16ClN3O4S2
PTK: 389.878
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
389.878
Monoisotopic mass
389.027075102
InChI
InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
InChI Key
InChIKey=JFVNFXCESCXMBC-UHFFFAOYSA-N
IUPAC Name
N-[(2Z)-5-{4-chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-2,3-dihydro-1,3-thiazol-2-ylidene]acetamide
Traditional IUPAC Name
N-[(2Z)-5-{4-chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-3H-1,3-thiazol-2-ylidene]acetamide
SMILES
CC(=O)\N=C1\NC(C)=C(S1)C1=CC(=C(Cl)C=C1)S(=O)(=O)NCCO
Độ hòa tan
6.56e-02 g/l
logP
0.35
logS
-3.8
pKa (strongest acidic)
8.81
pKa (Strongest Basic)
-1.9
PSA
107.86 Å2
Refractivity
95.92 m3·mol-1
Polarizability
38.04 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
6
H Bond Donor Count
3
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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