COC(=O)N=C(N)c1ccc(C2C3C(=O)N(Cc4ccc5c(c4)OCO5)C(C(C)C)C3C3CCCN32)cc1
SMILES: COC(=O)N=C(N)c1ccc(C2C3C(=O)N(Cc4ccc5c(c4)OCO5)C(C(C)C)C3C3CCCN32)cc1

Molecular Processing

Molecular formula
C29H34N4O5
Molecular weight
518.61
Exact mass
518.2529
XLogP
3.71
TPSA
106.69
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
38
Rings
6
Aromatic rings
2
Saturated rings
3
Aliphatic rings
4
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
140.76

Supplementary Information

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