COC(=O)NC(C(=O)N1CCCC1c1ncc(C#Cc2ccc3cc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)ccc3c2)[nH]1)C(C)C
SMILES: COC(=O)NC(C(=O)N1CCCC1c1ncc(C#Cc2ccc3cc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)ccc3c2)[nH]1)C(C)C

Molecular Processing

Molecular formula
C40H48N8O6
Molecular weight
736.87
Exact mass
736.3697
XLogP
5.44
TPSA
174.64
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
54
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
201.81

Supplementary Information

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