이름: 5-(4-benzothiazol-2-ylmethyl-benzyl)-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CC2CC1CN2Cc1ccc(Cc2nc3ccccc3s2)cc1Molecular Processing
Molecular formula
C25H29N3O2S
Molecular weight
435.59
Exact mass
435.198
XLogP
5.08
TPSA
45.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
124.41
Supplementary Information
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