SMILES:
COC(=O)CCS(=O)(=O)N1CCN(Cc2cnc(NC(=O)N(C3CCCCCC3)[C@H]3CC[C@H](C)CC3)s2)CC1Molecular Processing
Molecular formula
C27H45N5O5S2
Molecular weight
583.82
Exact mass
583.2862
XLogP
4.29
TPSA
112.15
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
39
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.815
Molar refractivity
153.15
Supplementary Information
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