Nombre: 2-tert-butyl-6-isothiocyanato-5-(4-methyl-piperazin-1-yl)benzothiazole
SMILES:
CN1CCN(c2cc3nc(C(C)(C)C)sc3cc2N=C=S)CC1Molecular Processing
Molecular formula
C17H22N4S2
Molecular weight
346.53
Exact mass
346.1286
XLogP
4.08
TPSA
31.73
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
23
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
0.529
Molar refractivity
102.72
Supplementary Information
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