SMILES:
COc1cc2c(Nc3nc(-c4ccccc4)cs3)cnc(CN)c2cc1OC.ClMolecular Processing
Molecular formula
C21H21ClN4O2S
Molecular weight
428.95
Exact mass
428.1074
XLogP
5
TPSA
82.29
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.143
Molar refractivity
120.82
Supplementary Information
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Involved in 1 reactions→