Name: Compound 21B
SMILES:
CC(C)(C)OC(=O)N1CCC(Oc2nc3ncc(Br)cc3s2)CC1Molecular Processing
Molecular formula
C16H20BrN3O3S
Molecular weight
414.33
Exact mass
413.0409
XLogP
4.23
TPSA
64.55
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
96.57
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→