5'-ACETYL-4-{[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO}-2,2'-BITHIOPHENE-5-CARBOXYLIC ACID
Thuốc Gốc
Small Molecule
CTHH: C19H17NO5S3
PTK: 435.537
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
435.537
Monoisotopic mass
435.026884729
InChI
InChI=1S/C19H17NO5S3/c1-10-4-7-17(11(2)8-10)28(24,25)20-13-9-16(27-18(13)19(22)23)15-6-5-14(26-15)12(3)21/h4-9,20H,1-3H3,(H,22,23)
InChI Key
InChIKey=CMHHNHDPPWDNAH-UHFFFAOYSA-N
IUPAC Name
5-(5-acetylthiophen-2-yl)-3-[(2,4-dimethylbenzene)sulfonamido]thiophene-2-carboxylic acid
Traditional IUPAC Name
5-(5-acetylthiophen-2-yl)-3-(2,4-dimethylbenzenesulfonamido)thiophene-2-carboxylic acid
SMILES
CC(=O)C1=CC=C(S1)C1=CC(NS(=O)(=O)C2=CC=C(C)C=C2C)=C(S1)C(O)=O
Độ hòa tan
9.30e-03 g/l
logP
4.17
logS
-4.7
pKa (strongest acidic)
3.8
pKa (Strongest Basic)
-7.8
PSA
100.54 Å2
Refractivity
109.12 m3·mol-1
Polarizability
43.69 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
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading