Name: N-[4-(cyclohexylamino)butyl]-4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenesulfonamide
SMILES:
CN1C=CN=C1CN(CC2=CC=C(C=C2)S(=O)(=O)NCCCCNC3CCCCC3)CC4=NC=CN4Molecular Processing
Molecular formula
C26H39N7O2S
Molecular weight
513.71
Exact mass
513.2886
XLogP
3.33
TPSA
107.94
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
14
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
140.49
Supplementary Information
InChIKey: ZPIVMPGEMFRWTP-UHFFFAOYSA-N
Synonyme
SCHEMBL1206187ZPIVMPGEMFRWTP-UHFFFAOYSA-N
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