이름: 3-[4-(2-cyano-phenylsulfanyl)-2-methoxy-phenyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
SMILES:
COc1cc(Sc2ccccc2C#N)ccc1C1CCN(C(=O)OC(C)(C)C)C1Molecular Processing
Molecular formula
C23H26N2O3S
Molecular weight
410.54
Exact mass
410.1664
XLogP
5.44
TPSA
62.56
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
113.44
Supplementary Information
상세 정보 불러오는 중…
4개 반응에 참여→