Tìm theo
4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE
Thuốc Gốc
Small Molecule
CTHH: C12H19N5O2S2
PTK: 329.442
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H19N5O2S2
Phân tử khối
329.442
Monoisotopic mass
329.098016257
InChI
InChI=1S/C12H19N5O2S2/c1-16-6-8-17(9-7-16)15-12(20)14-10-2-4-11(5-3-10)21(13,18)19/h2-5H,6-9H2,1H3,(H2,13,18,19)(H2,14,15,20)
InChI Key
InChIKey=BPPLIZHQOIGRPZ-UHFFFAOYSA-N
IUPAC Name
1-(4-methylpiperazin-1-yl)-3-(4-sulfamoylphenyl)thiourea
Traditional IUPAC Name
1-(4-methylpiperazin-1-yl)-3-(4-sulfamoylphenyl)thiourea
SMILES
CN1CCN(CC1)NC(=S)NC1=CC=C(C=C1)S(N)(=O)=O
Độ hòa tan
2.82e-01 g/l
logP
0.09
logS
-3.1
pKa (strongest acidic)
9.24
pKa (Strongest Basic)
7.19
PSA
90.7 Å2
Refractivity
88.89 m3·mol-1
Polarizability
33.89 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08202
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=891831
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99444673
ChemSpider
http://www.chemspider.com/Chemical-Structure.779660.html
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