SMILES:
COC1CN(C(=O)c2nc3c(s2)C(C)N(C)CC3)CC1NC(=O)c1ccc(Cl)s1Molecular Processing
Molecular formula
C19H23ClN4O3S2
Molecular weight
455.01
Exact mass
454.09
XLogP
2.68
TPSA
74.77
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
114.15
Supplementary Information
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