이름: product
SMILES:
CC(C)C(c1cc2cc(Cl)ccc2n1Cc1ccccc1)N(CCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1Molecular Processing
Molecular formula
C37H34ClN3O3
Molecular weight
604.15
Exact mass
603.2289
XLogP
7.87
TPSA
62.62
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
44
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.216
Molar refractivity
173.98
Supplementary Information
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