Name: 2-amino-4,7-dihydro-5H-thieno[2,3-c]pyran-3,5-dicarboxylic acid 3-tert-butyl ester 5-ethyl ester
SMILES:
CCOC(=O)C1Cc2c(sc(N)c2C(=O)OC(C)(C)C)CO1Molecular Processing
Molecular formula
C15H21NO5S
Molecular weight
327.4
Exact mass
327.114
XLogP
2.29
TPSA
87.85
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
82.81
Supplementary Information
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