이름: 2-Nitro-N-{4-[1-methyl-1-(1-methylpiperidin-4-yl)ethyl]phenyl}benzamide
SMILES:
CN1CCC(C(C)(C)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1Molecular Processing
Molecular formula
C22H27N3O3
Molecular weight
381.48
Exact mass
381.2052
XLogP
4.47
TPSA
75.48
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
110.74
Supplementary Information
상세 정보 불러오는 중…
4개 반응에 참여→