SMILES:
CCC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1CN)c1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C22H22ClF3N4O
Molecular weight
450.89
Exact mass
450.1434
XLogP
5.27
TPSA
72.94
H-bond donors
2
H-bond acceptors
3
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
113.02
Supplementary Information
상세 정보 불러오는 중…
2개 반응에 참여→