SMILES:
COCCn1cc(C)sc1=NC(=O)C12CC3CC(Cl)(CC(Cl)(C3)C1)C2Molecular Processing
Molecular formula
C18H24Cl2N2O2S
Molecular weight
403.38
Exact mass
402.0936
XLogP
3.87
TPSA
43.59
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
100.29
Supplementary Information
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