Tìm theo
2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide
Thuốc Gốc
Small Molecule
CTHH: C13H17N3O2S
PTK: 279.358
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
279.358
Monoisotopic mass
279.104147493
InChI
InChI=1S/C13H17N3O2S/c1-3-4-5-6-7-10-8-9-11(18-10)12(17)15-16-13(19)14-2/h8-9H,3-5H2,1-2H3,(H,15,17)(H2,14,16,19)
InChI Key
InChIKey=CUKZXTKQBXLMDO-UHFFFAOYSA-N
IUPAC Name
5-(hex-1-yn-1-yl)-N-[(methylcarbamothioyl)amino]furan-2-carboxamide
Traditional IUPAC Name
5-(hex-1-yn-1-yl)-N-[(methylcarbamothioyl)amino]furan-2-carboxamide
SMILES
CCCCC#CC1=CC=C(O1)C(=O)NNC(=S)NC
Độ hòa tan
2.37e-02 g/l
logP
2.32
logS
-4.1
pKa (strongest acidic)
11.8
pKa (Strongest Basic)
-3
PSA
66.3 Å2
Refractivity
76.31 m3·mol-1
Polarizability
30.89 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
1
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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