이름: 5-Bromomethyl-1-(4-chloro-phenyl)-1H-pyrazole-4-carboxylic acid [(S)-1-(3-trifluoromethyl-phenyl)-butyl]-amide
SMILES:
CCC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1CBr)c1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C22H20BrClF3N3O
Molecular weight
514.77
Exact mass
513.043
XLogP
6.71
TPSA
46.92
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
117.76
Supplementary Information
상세 정보 불러오는 중…
2개 반응에 참여→