SMILES:
Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](CNC(=O)c3ccc(Cl)s3)C(=O)N3CCN(C)CC3)cc2)cs1.ClMolecular Processing
Molecular formula
C23H27Cl2N5O4S3
Molecular weight
604.61
Exact mass
603.0602
XLogP
3.11
TPSA
111.71
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
2
Fraction Csp3
0.348
Molar refractivity
149.38
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→