CC1(CN(CC2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F)C3CC3)C
الاسم: (2-cyclopropyl-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl) trifluoromethanesulfonate
SMILES: CC1(CN(CC2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F)C3CC3)C

Molecular Processing

Molecular formula
C15H18F3NO3S
Molecular weight
349.37
Exact mass
349.0959
XLogP
3.17
TPSA
46.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
78.5

Supplementary Information

InChIKey: DQTRDMFDRUMQHG-UHFFFAOYSA-N
مرادفات
2-Cyclopropyl-4,4-dimethyl-6-trifluoromethylsulfonyloxy-1,2,3,4-tetrahydroisoquinolineSCHEMBL57367282-cyclopropyl-4,4-dimethyl -6-trifluoromethylsulfonyloxy-1,2,3,4-tetrahydroisoquinoline2-Cyclopropyl-4,4-dimethyl-6-trifluoromethylsul fonyloxy-1,2,3,4-tetrahydro-isoquinoline2-Cyclopropyl-4,4-dimethyl-6-trifluoromethylsulfonyloxy-1,2,3,4-tetrahydro-isoquinoline2-cyclopropyl4,4-dimethyl-6-trifluoromethylsulfonyloxy-1,2,3,4,-tetrahydro-isoquinoline
عرض المصدر →
مشارك في 13 تفاعل→

بحث موسع

بحث البنية الفرعية→بحث التشابه→