이름: N-{7-[bis-(4-methyl-benzyl)-amino]-4-methoxy-benzothiazol-2-yl}-benzamide
SMILES:
COc1ccc(N(Cc2ccc(C)cc2)Cc2ccc(C)cc2)c2sc(NC(=O)c3ccccc3)nc12Molecular Processing
Molecular formula
C31H29N3O2S
Molecular weight
507.66
Exact mass
507.198
XLogP
7.38
TPSA
54.46
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
37
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.161
Molar refractivity
152.81
Supplementary Information
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