SMILES:
Cc1cc(C(=O)NC(C)c2nc3cc(Cl)ccc3[nH]2)ccc1N1CCS(=O)CC1=OMolecular Processing
Molecular formula
C21H21ClN4O3S
Molecular weight
444.94
Exact mass
444.1023
XLogP
3.11
TPSA
95.16
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
118.39
Supplementary Information
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