Nombre: 8j
SMILES:
O=C(Cc1csc(-c2ncccc2O)n1)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(Cl)CSC12Molecular Processing
Molecular formula
C30H23ClN4O5S2
Molecular weight
619.12
Exact mass
618.0798
XLogP
4.64
TPSA
121.72
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
42
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
159.43
Supplementary Information
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