C=CCOc1cc(C(=O)NC(Cc2ccccc2)C(O)CC(C)C(=O)NCCC(C)(C)C)cc(N2CCCC2=O)c1
SMILES: C=CCOc1cc(C(=O)NC(Cc2ccccc2)C(O)CC(C)C(=O)NCCC(C)(C)C)cc(N2CCCC2=O)c1

Molecular Processing

Molecular formula
C33H45N3O5
Molecular weight
563.74
Exact mass
563.3359
XLogP
4.66
TPSA
107.97
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
14
Heavy atoms
41
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.485
Molar refractivity
161.99

Supplementary Information

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