CC(C)(C)OC(=O)C=C(CCCCCCC1=NC2=C(CCCN2)C=C1)OS(=O)(=O)C(F)(F)F
الاسم: tert-butyl 9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-3-(trifluoromethylsulfonyloxy)non-2-enoate
SMILES: CC(C)(C)OC(=O)C=C(CCCCCCC1=NC2=C(CCCN2)C=C1)OS(=O)(=O)C(F)(F)F

Molecular Processing

Molecular formula
C22H31F3N2O5S
Molecular weight
492.56
Exact mass
492.1906
XLogP
5.02
TPSA
94.59
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
33
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
117.82

Supplementary Information

InChIKey: ZMMOASUIERVKES-UHFFFAOYSA-N
مرادفات
9-(5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl)-3-(trifluoromethanesulfonyloxy)-non-2-enoic acid tert-butyl esterSCHEMBL64371819-(5,6,7,8-Tetrahydro-[1,8]-naphthyridin-2-yl)-3-(trifluoromethanesulfonyloxy)-non-2-enoic acid tert-butyl ester9-(5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl)-3-(trifluoromethane-sulfonyloxy)-non-2-enoic acid tert-butyl ester
عرض المصدر →
مشارك في 11 تفاعل→

بحث موسع

بحث البنية الفرعية→بحث التشابه→