4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE
Thuốc Gốc
Small Molecule
CTHH: C18H14N4O3S2
PTK: 398.459
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
398.459
Monoisotopic mass
398.050731714
InChI
InChI=1S/C18H14N4O3S2/c23-17-15(14-3-1-2-4-16(14)21-17)11-20-12-5-7-13(8-6-12)27(24,25)22-18-19-9-10-26-18/h1-11,20H,(H,19,22)(H,21,23)/b15-11-
InChI Key
InChIKey=BOMPRXSVSIPRDT-PTNGSMBKSA-N
IUPAC Name
4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}amino)-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide
Traditional IUPAC Name
4-({[(3Z)-2-oxo-1H-indol-3-ylidene]methyl}amino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILES
O=C1NC2=CC=CC=C2\C1=C\NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1
Độ hòa tan
1.08e-02 g/l
logP
2.34
logS
-4.6
pKa (strongest acidic)
6.9
pKa (Strongest Basic)
0.59
PSA
100.19 Å2
Refractivity
105.44 m3·mol-1
Polarizability
39.82 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
4
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