SMILES:
CC(=O)OCCc1cc2c(s1)CCC1CC(=O)N(c3ccc(C)cc3)N=C21Molecular Processing
Molecular formula
C21H22N2O3S
Molecular weight
382.49
Exact mass
382.1351
XLogP
3.87
TPSA
58.97
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
106.29
Supplementary Information
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