Tribenuron Methyl
Thuốc Gốc
Small Molecule
CTHH: C15H23N5O6S
PTK: 401.438
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H23N5O6S
Phân tử khối
401.438
Monoisotopic mass
401.136904183
InChI
InChI=1S/C15H23N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h10-11H,5-8H2,1-4H3,(H,19,22)/t10-,11-/m0/s1
InChI Key
InChIKey=YMXOXAPKZDWXLY-QWRGUYRKSA-N
IUPAC Name
methyl (1R,2S)-2-({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]amino}sulfonyl)cyclohexane-1-carboxylate
Traditional IUPAC Name
methyl (1R,2S)-2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]aminosulfonyl}cyclohexane-1-carboxylate
SMILES
COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NC(=O)N(C)C1=NC(C)=NC(OC)=N1
Độ hòa tan
5.40e-01 g/l
logP
1.32
logS
-2.9
pKa (strongest acidic)
3.24
pKa (Strongest Basic)
-1
PSA
140.68 Å2
Refractivity
95.44 m3·mol-1
Polarizability
39.79 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
8
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
PubChem Compound
PubChem Substance
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