SMILES:
CCOC(=O)CCNC(=O)c1ccc(NC(c2sc3ccccc3c2C)C2CCCC2)cc1Molecular Processing
Molecular formula
C27H32N2O3S
Molecular weight
464.63
Exact mass
464.2134
XLogP
6.24
TPSA
67.43
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
134.91
Supplementary Information
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