Name: 4-(2-diisopropylamino-ethylamino)benzenesulfonic acid 2-aminobenzothiazol-6-yl ester
SMILES:
CC(C)N(CCNc1ccc(S(=O)(=O)Oc2ccc3nc(N)sc3c2)cc1)C(C)CMolecular Processing
Molecular formula
C21H28N4O3S2
Molecular weight
448.61
Exact mass
448.1603
XLogP
4.18
TPSA
97.55
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
123.76
Supplementary Information
Details werden geladen…
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