SMILES:
CCOC(=O)c1nc(-c2cnc(Nc3ccc4ncsc4c3)cc2NC(C)C)oc1CMolecular Processing
Molecular formula
C22H23N5O3S
Molecular weight
437.53
Exact mass
437.1522
XLogP
5.4
TPSA
102.17
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
122.09
Supplementary Information
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