Nombre: α-(tert-Butoxycarbonyl)amino(1,3-dihydrobenzo[c]thien-4-yl)acetic acid
SMILES:
CC(C)(C)OC(=O)C(N)(C(=O)O)c1cccc2c1CSC2Molecular Processing
Molecular formula
C15H19NO4S
Molecular weight
309.39
Exact mass
309.1035
XLogP
2.01
TPSA
89.62
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
80.79
Supplementary Information
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