이름: 6-fluoro-2-{3-[4-(2-fluoro-phenyl)-piperazin-1-yl]-phenyl}-4,4-dimethyl-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid methyl ester
SMILES:
COC(=O)c1cc(F)cc2c1NC(c1cccc(N3CCN(c4ccccc4F)CC3)c1)CC2(C)CMolecular Processing
Molecular formula
C29H31F2N3O2
Molecular weight
491.58
Exact mass
491.2384
XLogP
5.91
TPSA
44.81
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
139.01
Supplementary Information
상세 정보 불러오는 중…
2개 반응에 참여→