이름: t-butyl 4-((2R)-2-((1R)-3,3-difluorocyclopentyl)-2-hydroxy-2-(4-bromophenyl)ethanoyloxy)-tetrahydropyridine-1(2H)-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(OC(=O)[C@](O)(c2ccc(Br)cc2)[C@@H]2CCC(F)(F)C2)CC1Molecular Processing
Molecular formula
C23H30BrF2NO5
Molecular weight
518.4
Exact mass
517.1275
XLogP
5.01
TPSA
76.07
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
32
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.652
Molar refractivity
117.25
Supplementary Information
상세 정보 불러오는 중…
3개 반응에 참여→