이름: ethyl 2-cyano-2-[2-methoxy-3-(o-tolylthio)phenyl]propionate
SMILES:
CCOC(=O)C(C)(C#N)c1cccc(Sc2ccccc2C)c1OCMolecular Processing
Molecular formula
C20H21NO3S
Molecular weight
355.46
Exact mass
355.1242
XLogP
4.5
TPSA
59.32
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
97.89
Supplementary Information
상세 정보 불러오는 중…
3개 반응에 참여→