名称: 1-(2-Methoxy-4-(1-ethenylsulfonyl-4-piperidyloxy)phenylacetyl)-4-(2-methylphenyl)piperazine-2-carboxamide
SMILES:
C=CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCN(c4ccccc4C)CC3C(N)=O)c(OC)c2)CC1Molecular Processing
Molecular formula
C28H36N4O6S
Molecular weight
556.69
Exact mass
556.2356
XLogP
2.07
TPSA
122.48
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
39
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
149.13
Supplementary Information
詳細情報を取得中…
8 件の反応に参加→