Nombre: methyl 4-(2-aminoethyl)-2-tert-butylaminosulfonylbenzoate
SMILES:
COC(=O)c1ccc(CCN)cc1S(=O)(=O)NC(C)(C)CMolecular Processing
Molecular formula
C14H22N2O4S
Molecular weight
314.41
Exact mass
314.13
XLogP
1.05
TPSA
98.49
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
80.61
Supplementary Information
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