Name: Racemic benzyl 2-benzamido-7a-phenyl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine-6-carboxylate
SMILES:
O=C(NC1=NC2(c3ccccc3)CN(C(=O)OCc3ccccc3)CC2CS1)c1ccccc1Molecular Processing
Molecular formula
C27H25N3O3S
Molecular weight
471.58
Exact mass
471.1617
XLogP
4.68
TPSA
71
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
133.61
Supplementary Information
Details werden geladen…
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