SMILES:
COC1CCN(C/C=C/C(=O)N2CCc3c(sc4ncnc(Nc5cc(O)cc(Cl)c5)c34)C2)CC1Molecular Processing
Molecular formula
C25H28ClN5O3S
Molecular weight
514.05
Exact mass
513.1601
XLogP
4.35
TPSA
90.82
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
138.55
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→