SMILES:
CCCCCCCCCCCCCCCC[n+]1ccccc1.CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1.[Cl-]Molecular Processing
Molecular formula
C39H56ClN9O7S3
Molecular weight
894.59
Exact mass
893.3153
XLogP
2.26
TPSA
219.1
H-bond donors
4
H-bond acceptors
14
Rotatable bonds
23
Heavy atoms
59
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
20
Covalent units
3
Fraction Csp3
0.564
Molar refractivity
226.37
Supplementary Information
Obteniendo detalles…
Participa en 1 reacciones→