名称: (S)-2-[4-(3-chloro-2,6-difluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-3-cyclohexyl-propionic acid
SMILES:
CC(C)(O)Cn1ccc(NC(=O)[C@H](CC2CCCCC2)N2CC(Oc3c(F)ccc(Cl)c3F)=CC2=O)n1Molecular Processing
Molecular formula
C26H31ClF2N4O4
Molecular weight
537.01
Exact mass
536.2002
XLogP
4.67
TPSA
96.69
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
133.93
Supplementary Information
詳細情報を取得中…
5 件の反応に参加→