N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESUL
Thuốc Gốc
Small Molecule
CTHH: C17H15N5O3S2
PTK: 401.463
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
401.463
Monoisotopic mass
401.061630751
InChI
InChI=1S/C17H15N5O3S2/c1-18-27(24,25)8-10-2-4-11(5-3-10)21-22-15-14-12(20-17(15)23)6-7-13-16(14)26-9-19-13/h2-7,9,18,21H,8H2,1H3,(H,20,22,23)
InChI Key
InChIKey=GEWPSTLKJDIUHW-UHFFFAOYSA-N
IUPAC Name
N-methyl-1-(4-{2-[(8Z)-7-oxo-6H,7H,8H-[1,3]thiazolo[5,4-e]indol-8-ylidene]hydrazin-1-yl}phenyl)methanesulfonamide
Traditional IUPAC Name
N-methyl-1-(4-{2-[(8Z)-7-oxo-6H-[1,3]thiazolo[5,4-e]indol-8-ylidene]hydrazin-1-yl}phenyl)methanesulfonamide
SMILES
CNS(=O)(=O)CC1=CC=C(N\N=C2/C(=O)NC3=C2C2=C(C=C3)N=CS2)C=C1
Độ hòa tan
3.36e-02 g/l
logP
1.8
logS
-4.1
pKa (strongest acidic)
9.81
pKa (Strongest Basic)
1.62
PSA
112.55 Å2
Refractivity
104.93 m3·mol-1
Polarizability
40.12 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
0
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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