COC(=O)C1CC(S(C)(=O)=O)CN1c1cc(C)nn1-c1ccc(C(F)(F)F)cc1
SMILES: COC(=O)C1CC(S(C)(=O)=O)CN1c1cc(C)nn1-c1ccc(C(F)(F)F)cc1

Molecular Processing

Molecular formula
C18H20F3N3O4S
Molecular weight
431.44
Exact mass
431.1127
XLogP
2.36
TPSA
81.5
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
99.7

Supplementary Information

상세 정보 불러오는 중…

1개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→