Tìm theo
(Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide
Thuốc Gốc
Small Molecule
CTHH: C13H19N5S
PTK: 277.388
(Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide is a solid. This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. This drug targets the protein S100B.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C13H19N5S
Phân tử khối
277.388
Monoisotopic mass
277.136116323
InChI
InChI=1S/C13H19N5S/c1-17-6-8-18(9-7-17)12-5-3-2-4-11(12)10-15-16-13(14)19/h2-5H,6-10H2,1H3,(H2,14,19)/b16-15-
InChI Key
InChIKey=KAASZVAHBVMHCO-NXVVXOECSA-N
IUPAC Name
(Z)-({[2-(4-methylpiperazin-1-yl)phenyl]methyl}imino)thiourea
Traditional IUPAC Name
(Z)-{[2-(4-methylpiperazin-1-yl)phenyl]methyl}iminothiourea
SMILES
CN1CCN(CC1)C1=C(C\N=N/C(N)=S)C=CC=C1
Độ hòa tan
1.18e-01 g/l
logP
1.74
logS
-3.4
pKa (strongest acidic)
11.82
pKa (Strongest Basic)
7.77
PSA
57.22 Å2
Refractivity
83.02 m3·mol-1
Polarizability
29.95 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
1
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/DB06941
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=42608445
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99443412
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