Nombre: tert-butyl 2-(3-benzoylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
SMILES:
CC(C)(C)OC(=O)c1c(NC(=O)NC(=O)c2ccccc2)sc2c1CC(C)(C)OC2Molecular Processing
Molecular formula
C22H26N2O5S
Molecular weight
430.53
Exact mass
430.1562
XLogP
4.52
TPSA
93.73
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
114.99
Supplementary Information
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