Name: Racemic N-[6-Allyl-7a-(4-bromo-2-thienyl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-2-yl]benzamide
SMILES:
C=CCN1CC2CSC(NC(=O)c3ccccc3)=NC2(c2cc(Br)cs2)C1Molecular Processing
Molecular formula
C20H20BrN3OS2
Molecular weight
462.44
Exact mass
461.0231
XLogP
4.36
TPSA
44.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
117.63
Supplementary Information
Details werden geladen…
An 3 Reaktionen beteiligt→